(2S)-2-[[(3S)-piperidine-3-carbonyl]amino]propanoic acid

C9H16N2O3 — CID 81139769

IUPAC(2S)-2-[[(3S)-piperidine-3-carbonyl]amino]propanoic acid
SMILESC[C@H](NC(=O)[C@H]1CCCNC1)C(=O)O
InChIInChI=1S/C9H16N2O3/c1-6(9(13)14)11-8(12)7-3-2-4-10-5-7/h6-7,10H,2-5H2,1H3,(H,11,12)(H,13,14)/t6-,7-/m0/s1
InChIKeyVZSVAHVPZZXJMV-BQBZGAKWSA-N
MW200.24 g/mol
LogP-0.42
Rot. Bonds3

About (2S)-2-[[(3S)-piperidine-3-carbonyl]amino]propanoic acid

(2S)-2-[[(3S)-piperidine-3-carbonyl]amino]propanoic acid (PubChem CID 81139769) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is (2S)-2-[[(3S)-piperidine-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[(3S)-piperidine-3-carbonyl]amino]propanoic acid
PubChem CID81139769
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name(2S)-2-[[(3S)-piperidine-3-carbonyl]amino]propanoic acid
SMILESC[C@H](NC(=O)[C@H]1CCCNC1)C(=O)O
InChIInChI=1S/C9H16N2O3/c1-6(9(13)14)11-8(12)7-3-2-4-10-5-7/h6-7,10H,2-5H2,1H3,(H,11,12)(H,13,14)/t6-,7-/m0/s1
InChIKeyVZSVAHVPZZXJMV-BQBZGAKWSA-N
XLogP-0.42
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(3-methylbutan-2-yl)piperidine-3-carboxamide
CID 81123470
3-(piperidine-3-carbonylamino)butanoic acid
CID 61161193
(3S)-N-(3,3-dimethylbutan-2-yl)piperidine-3-carboxamide
CID 104828245
(3S)-N-(1-cyclopropylethyl)piperidine-3-carboxamide
CID 81123770
(3R)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]piperidine-3-carboxamide
CID 81133856
2-(piperidine-3-carbonylamino)butanoic acid
CID 61159662
(2S)-4-hydroxy-2-[[(3S)-piperidine-3-carbonyl]amino]butanoic acid
CID 107824929
(3R)-N-[(2R)-1-aminopropan-2-yl]piperidine-3-carboxamide
CID 130710975
N-pentan-2-ylpiperidine-3-carboxamide
CID 18072818
(2S)-2-[[(3S)-piperidine-3-carbonyl]amino]pentanoic acid
CID 107565163
(3R)-N-(1-amino-3-methyl-1-oxobutan-2-yl)piperidine-3-carboxamide
CID 106344996
5-[[(3S)-piperidine-3-carbonyl]amino]hexanoic acid
CID 82846519

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(3S)-piperidine-3-carbonyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[(3S)-piperidine-3-carbonyl]amino]propanoic acid (CID 81139769) is (2S)-2-[[(3S)-piperidine-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[(3S)-piperidine-3-carbonyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[(3S)-piperidine-3-carbonyl]amino]propanoic acid is C[C@H](NC(=O)[C@H]1CCCNC1)C(=O)O.
What is the InChIKey of (2S)-2-[[(3S)-piperidine-3-carbonyl]amino]propanoic acid?
The InChIKey is VZSVAHVPZZXJMV-BQBZGAKWSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-6(9(13)14)11-8(12)7-3-2-4-10-5-7/h6-7,10H,2-5H2,1H3,(H,11,12)(H,13,14)/t6-,7-/m0/s1.
What are the key properties of (2S)-2-[[(3S)-piperidine-3-carbonyl]amino]propanoic acid?
(2S)-2-[[(3S)-piperidine-3-carbonyl]amino]propanoic acid has a molecular weight of 200.24 g/mol, XLogP of -0.42, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(3S)-piperidine-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 81139769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).