(2S)-2-aminopentanedioic acid;(2S)-2-amino-3-phenylpropanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid;(2S)-2,5-diaminopentanoic acid;(2S)-pyrrolidine-2-carboxylic acid

C29H51N7O13 — CID 159928961

IUPAC(2S)-2-aminopentanedioic acid;(2S)-2-amino-3-phenylpropanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid;(2S)-2,5-diaminopentanoic acid;(2S)-pyrrolidine-2-carboxylic acid
SMILESNC(=O)CC[C@H](N)C(=O)O.NCCC[C@H](N)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O.O=C(O)[C@@H]1CCCN1
InChIInChI=1S/C9H11NO2.C5H10N2O3.C5H12N2O2.C5H9NO4.C5H9NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7;6-3(5(9)10)1-2-4(7)8;6-3-1-2-4(7)5(8)9;6-3(5(9)10)1-2-4(7)8;7-5(8)4-2-1-3-6-4/h1-5,8H,6,10H2,(H,11,12);3H,1-2,6H2,(H2,7,8)(H,9,10);4H,1-3,6-7H2,(H,8,9);3H,1-2,6H2,(H,7,8)(H,9,10);4,6H,1-3H2,(H,7,8)/t8-;3-;4-;3-;4-/m00000/s1
InChIKeyNZJRZXZEIKCTQT-WKLMBEKESA-N
MW705.76 g/mol
LogP-2.47
Rot. Bonds16

About (2S)-2-aminopentanedioic acid;(2S)-2-amino-3-phenylpropanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid;(2S)-2,5-diaminopentanoic acid;(2S)-pyrrolidine-2-carboxylic acid

(2S)-2-aminopentanedioic acid;(2S)-2-amino-3-phenylpropanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid;(2S)-2,5-diaminopentanoic acid;(2S)-pyrrolidine-2-carboxylic acid (PubChem CID 159928961) has the molecular formula C29H51N7O13 and a molecular weight of 705.76 g/mol. Its IUPAC name is (2S)-2-aminopentanedioic acid;(2S)-2-amino-3-phenylpropanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid;(2S)-2,5-diaminopentanoic acid;(2S)-pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-aminopentanedioic acid;(2S)-2-amino-3-phenylpropanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid;(2S)-2,5-diaminopentanoic acid;(2S)-pyrrolidine-2-carboxylic acid
PubChem CID159928961
Molecular FormulaC29H51N7O13
Molecular Weight705.76 g/mol
Exact Mass705.35
IUPAC Name(2S)-2-aminopentanedioic acid;(2S)-2-amino-3-phenylpropanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid;(2S)-2,5-diaminopentanoic acid;(2S)-pyrrolidine-2-carboxylic acid
SMILESNC(=O)CC[C@H](N)C(=O)O.NCCC[C@H](N)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O.O=C(O)[C@@H]1CCCN1
InChIInChI=1S/C9H11NO2.C5H10N2O3.C5H12N2O2.C5H9NO4.C5H9NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7;6-3(5(9)10)1-2-4(7)8;6-3-1-2-4(7)5(8)9;6-3(5(9)10)1-2-4(7)8;7-5(8)4-2-1-3-6-4/h1-5,8H,6,10H2,(H,11,12);3H,1-2,6H2,(H2,7,8)(H,9,10);4H,1-3,6-7H2,(H,8,9);3H,1-2,6H2,(H,7,8)(H,9,10);4,6H,1-3H2,(H,7,8)/t8-;3-;4-;3-;4-/m00000/s1
InChIKeyNZJRZXZEIKCTQT-WKLMBEKESA-N
XLogP-2.47
TPSA409.02 Ų
H-Bond Donors13
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500705.76
LogP ≤ 5-2.47
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1013

Analyze (2S)-2-aminopentanedioic acid;(2S)-2-amino-3-phenylpropanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid;(2S)-2,5-diaminopentanoic acid;(2S)-pyrrolidine-2-carboxylic acid with MolForge

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Related Compounds

2-aminoacetic acid;(2S)-2-amino-4-methylpentanoic acid;(2S)-2-amino-3-phenylpropanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 160916856
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2R)-2-amino-3-phenylpropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 20707860
2,5-diamino-5-oxopentanoic acid;pyrrolidine-2-carboxylic acid
CID 22268904
2-aminoacetic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;bis((2S)-2-amino-3-phenylpropanoic acid);(2S)-2-amino-3-[(2S)-pyrrolidine-2-carbonyl]oxypropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 70192000
4-aminobutanoic acid;(2S)-2-aminopentanedioic acid;(2S)-2-amino-3-phenylpropanoic acid
CID 68766473
(2S)-2,6-diaminohexanoic acid;bis((2S)-pyrrolidine-2-carboxylic acid)
CID 161069597
bis(2-aminoacetic acid);(2S)-2,6-diaminohexanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 67117699
bis(2-amino-4-methylpentanoic acid);2-amino-4-methylsulfanylbutanoic acid;2-aminopentanedioic acid;2,6-diaminohexanoic acid;2,5-diamino-5-oxopentanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 175001013
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-methylpyrrolidine-1-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 90124086
(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;bis((2S)-2-amino-3-phenylpropanoic acid);(2S)-2,6-diaminohexanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 173034560
(2S)-2-aminopropanoic acid;(2S)-2,6-diaminohexanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 20598904
2-amino-3-methylbutanoic acid;2-aminopentanedioic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 174509456

Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminopentanedioic acid;(2S)-2-amino-3-phenylpropanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid;(2S)-2,5-diaminopentanoic acid;(2S)-pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-2-aminopentanedioic acid;(2S)-2-amino-3-phenylpropanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid;(2S)-2,5-diaminopentanoic acid;(2S)-pyrrolidine-2-carboxylic acid (CID 159928961) is (2S)-2-aminopentanedioic acid;(2S)-2-amino-3-phenylpropanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid;(2S)-2,5-diaminopentanoic acid;(2S)-pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-2-aminopentanedioic acid;(2S)-2-amino-3-phenylpropanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid;(2S)-2,5-diaminopentanoic acid;(2S)-pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-2-aminopentanedioic acid;(2S)-2-amino-3-phenylpropanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid;(2S)-2,5-diaminopentanoic acid;(2S)-pyrrolidine-2-carboxylic acid is NC(=O)CC[C@H](N)C(=O)O.NCCC[C@H](N)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O.O=C(O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-2-aminopentanedioic acid;(2S)-2-amino-3-phenylpropanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid;(2S)-2,5-diaminopentanoic acid;(2S)-pyrrolidine-2-carboxylic acid?
The InChIKey is NZJRZXZEIKCTQT-WKLMBEKESA-N. The full InChI is InChI=1S/C9H11NO2.C5H10N2O3.C5H12N2O2.C5H9NO4.C5H9NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7;6-3(5(9)10)1-2-4(7)8;6-3-1-2-4(7)5(8)9;6-3(5(9)10)1-2-4(7)8;7-5(8)4-2-1-3-6-4/h1-5,8H,6,10H2,(H,11,12);3H,1-2,6H2,(H2,7,8)(H,9,10);4H,1-3,6-7H2,(H,8,9);3H,1-2,6H2,(H,7,8)(H,9,10);4,6H,1-3H2,(H,7,8)/t8-;3-;4-;3-;4-/m00000/s1.
What are the key properties of (2S)-2-aminopentanedioic acid;(2S)-2-amino-3-phenylpropanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid;(2S)-2,5-diaminopentanoic acid;(2S)-pyrrolidine-2-carboxylic acid?
(2S)-2-aminopentanedioic acid;(2S)-2-amino-3-phenylpropanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid;(2S)-2,5-diaminopentanoic acid;(2S)-pyrrolidine-2-carboxylic acid has a molecular weight of 705.76 g/mol, XLogP of -2.47, 16 rotatable bonds, 13 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminopentanedioic acid;(2S)-2-amino-3-phenylpropanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid;(2S)-2,5-diaminopentanoic acid;(2S)-pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 159928961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).