(2S)-2-aminopropanoic acid;(2S)-2,6-diaminohexanoic acid;(2S)-pyrrolidine-2-carboxylic acid

C14H30N4O6 — CID 20598904

IUPAC(2S)-2-aminopropanoic acid;(2S)-2,6-diaminohexanoic acid;(2S)-pyrrolidine-2-carboxylic acid
SMILESC[C@H](N)C(=O)O.NCCCC[C@H](N)C(=O)O.O=C(O)[C@@H]1CCCN1
InChIInChI=1S/C6H14N2O2.C5H9NO2.C3H7NO2/c7-4-2-1-3-5(8)6(9)10;7-5(8)4-2-1-3-6-4;1-2(4)3(5)6/h5H,1-4,7-8H2,(H,9,10);4,6H,1-3H2,(H,7,8);2H,4H2,1H3,(H,5,6)/t5-;4-;2-/m000/s1
InChIKeyULBOLDVMVFNCFL-VCIZMDRUSA-N
MW350.42 g/mol
LogP-1.23
Rot. Bonds7

About (2S)-2-aminopropanoic acid;(2S)-2,6-diaminohexanoic acid;(2S)-pyrrolidine-2-carboxylic acid

(2S)-2-aminopropanoic acid;(2S)-2,6-diaminohexanoic acid;(2S)-pyrrolidine-2-carboxylic acid (PubChem CID 20598904) has the molecular formula C14H30N4O6 and a molecular weight of 350.42 g/mol. Its IUPAC name is (2S)-2-aminopropanoic acid;(2S)-2,6-diaminohexanoic acid;(2S)-pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-aminopropanoic acid;(2S)-2,6-diaminohexanoic acid;(2S)-pyrrolidine-2-carboxylic acid
PubChem CID20598904
Molecular FormulaC14H30N4O6
Molecular Weight350.42 g/mol
Exact Mass350.22
IUPAC Name(2S)-2-aminopropanoic acid;(2S)-2,6-diaminohexanoic acid;(2S)-pyrrolidine-2-carboxylic acid
SMILESC[C@H](N)C(=O)O.NCCCC[C@H](N)C(=O)O.O=C(O)[C@@H]1CCCN1
InChIInChI=1S/C6H14N2O2.C5H9NO2.C3H7NO2/c7-4-2-1-3-5(8)6(9)10;7-5(8)4-2-1-3-6-4;1-2(4)3(5)6/h5H,1-4,7-8H2,(H,9,10);4,6H,1-3H2,(H,7,8);2H,4H2,1H3,(H,5,6)/t5-;4-;2-/m000/s1
InChIKeyULBOLDVMVFNCFL-VCIZMDRUSA-N
XLogP-1.23
TPSA201.99 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.42
LogP ≤ 5-1.23
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S)-2-aminopropanoic acid;(2S)-2,6-diaminohexanoic acid;(2S)-pyrrolidine-2-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

(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
(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2,6-diaminohexanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 20751279
bis(2-aminoacetic acid);(2S)-2-amino-3-methylbutanoic acid;(2S)-2,6-diaminohexanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 68976268
(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
CID 67175874
CID 67175874
2,6-diamino-5-hydroxyhexanoic acid;pyrrolidine-2-carboxylic acid
CID 22099142
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
(2R)-2-amino-4-methylsulfanylbutanoic acid;(2R)-pyrrolidine-2-carboxylic acid
CID 141203055
bis((2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid);(2S)-pyrrolidine-2-carboxylic acid
CID 118395312
2,5-diamino-5-oxopentanoic acid;pyrrolidine-2-carboxylic acid
CID 22268904
2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 23551169

Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminopropanoic acid;(2S)-2,6-diaminohexanoic acid;(2S)-pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-2-aminopropanoic acid;(2S)-2,6-diaminohexanoic acid;(2S)-pyrrolidine-2-carboxylic acid (CID 20598904) is (2S)-2-aminopropanoic acid;(2S)-2,6-diaminohexanoic acid;(2S)-pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-2-aminopropanoic acid;(2S)-2,6-diaminohexanoic acid;(2S)-pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-2-aminopropanoic acid;(2S)-2,6-diaminohexanoic acid;(2S)-pyrrolidine-2-carboxylic acid is C[C@H](N)C(=O)O.NCCCC[C@H](N)C(=O)O.O=C(O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-2-aminopropanoic acid;(2S)-2,6-diaminohexanoic acid;(2S)-pyrrolidine-2-carboxylic acid?
The InChIKey is ULBOLDVMVFNCFL-VCIZMDRUSA-N. The full InChI is InChI=1S/C6H14N2O2.C5H9NO2.C3H7NO2/c7-4-2-1-3-5(8)6(9)10;7-5(8)4-2-1-3-6-4;1-2(4)3(5)6/h5H,1-4,7-8H2,(H,9,10);4,6H,1-3H2,(H,7,8);2H,4H2,1H3,(H,5,6)/t5-;4-;2-/m000/s1.
What are the key properties of (2S)-2-aminopropanoic acid;(2S)-2,6-diaminohexanoic acid;(2S)-pyrrolidine-2-carboxylic acid?
(2S)-2-aminopropanoic acid;(2S)-2,6-diaminohexanoic acid;(2S)-pyrrolidine-2-carboxylic acid has a molecular weight of 350.42 g/mol, XLogP of -1.23, 7 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminopropanoic acid;(2S)-2,6-diaminohexanoic acid;(2S)-pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 20598904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).