(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid

C25H53N5O10 — CID 70259627

IUPAC(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
SMILESCC(C)C[C@H](N)C(=O)O.CC(C)[C@H](N)C(=O)O.CC[C@H](C)[C@H](N)C(=O)O.C[C@H](N)C(=O)O.O=C(O)[C@@H]1CCCN1
InChIInChI=1S/2C6H13NO2.C5H9NO2.C5H11NO2.C3H7NO2/c1-4(2)3-5(7)6(8)9;1-3-4(2)5(7)6(8)9;7-5(8)4-2-1-3-6-4;1-3(2)4(6)5(7)8;1-2(4)3(5)6/h2*4-5H,3,7H2,1-2H3,(H,8,9);4,6H,1-3H2,(H,7,8);3-4H,6H2,1-2H3,(H,7,8);2H,4H2,1H3,(H,5,6)/t5-;4-,5-;2*4-;2-/m00000/s1
InChIKeyOCUMXGRCFJOWAP-XSPMUUKCSA-N
MW583.72 g/mol
LogP0.18
Rot. Bonds10

About (2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid

(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid (PubChem CID 70259627) has the molecular formula C25H53N5O10 and a molecular weight of 583.72 g/mol. Its IUPAC name is (2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
PubChem CID70259627
Molecular FormulaC25H53N5O10
Molecular Weight583.72 g/mol
Exact Mass583.38
IUPAC Name(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
SMILESCC(C)C[C@H](N)C(=O)O.CC(C)[C@H](N)C(=O)O.CC[C@H](C)[C@H](N)C(=O)O.C[C@H](N)C(=O)O.O=C(O)[C@@H]1CCCN1
InChIInChI=1S/2C6H13NO2.C5H9NO2.C5H11NO2.C3H7NO2/c1-4(2)3-5(7)6(8)9;1-3-4(2)5(7)6(8)9;7-5(8)4-2-1-3-6-4;1-3(2)4(6)5(7)8;1-2(4)3(5)6/h2*4-5H,3,7H2,1-2H3,(H,8,9);4,6H,1-3H2,(H,7,8);3-4H,6H2,1-2H3,(H,7,8);2H,4H2,1H3,(H,5,6)/t5-;4-,5-;2*4-;2-/m00000/s1
InChIKeyOCUMXGRCFJOWAP-XSPMUUKCSA-N
XLogP0.18
TPSA302.61 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.72
LogP ≤ 50.18
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

Analyze (2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid with MolForge

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Related Compounds

tris(2-aminoacetic acid);(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 23551207
(2S)-2-amino-4-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 66790467
(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-4-methylpentanoic acid;bis((2S)-pyrrolidine-2-carboxylic acid)
CID 70209240
2-amino-3-methylbutanoic acid;pyrrolidine-2-carboxylic acid
CID 22457430
2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 23551169
2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-methylbutanoic acid;2-amino-3-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 174047828
2-amino-3-methylbutanoic acid;2-amino-3-methylpentanoic acid;bis(2-amino-4-methylpentanoic acid)
CID 175377800
2-aminoacetic acid;bis((2S)-2-amino-3-methylbutanoic acid);(2S)-2-aminopropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 23531806
2-amino-3-methylbutanoic acid;2-aminopentanedioic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 174509456
(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 22825802
(2S)-2-amino-3-[(2S)-2-amino-4-methylpentanoyl]oxypropanoic acid;(2S)-2-aminopropanoic acid;[(2S)-2-aminopropanoyl] (2S)-2-amino-3-methylbutanoate;(2S)-2,6-diaminohexanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 173390225
2-aminoacetic acid;2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 174464534

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid (CID 70259627) is (2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid is CC(C)C[C@H](N)C(=O)O.CC(C)[C@H](N)C(=O)O.CC[C@H](C)[C@H](N)C(=O)O.C[C@H](N)C(=O)O.O=C(O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid?
The InChIKey is OCUMXGRCFJOWAP-XSPMUUKCSA-N. The full InChI is InChI=1S/2C6H13NO2.C5H9NO2.C5H11NO2.C3H7NO2/c1-4(2)3-5(7)6(8)9;1-3-4(2)5(7)6(8)9;7-5(8)4-2-1-3-6-4;1-3(2)4(6)5(7)8;1-2(4)3(5)6/h2*4-5H,3,7H2,1-2H3,(H,8,9);4,6H,1-3H2,(H,7,8);3-4H,6H2,1-2H3,(H,7,8);2H,4H2,1H3,(H,5,6)/t5-;4-,5-;2*4-;2-/m00000/s1.
What are the key properties of (2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid?
(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid has a molecular weight of 583.72 g/mol, XLogP of 0.18, 10 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 70259627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).