(2S)-2-(piperidine-1-carbonylamino)propanoic acid

C9H16N2O3 — CID 945005

IUPAC(2S)-2-(piperidine-1-carbonylamino)propanoic acid
SMILESC[C@H](NC(=O)N1CCCCC1)C(=O)O
InChIInChI=1S/C9H16N2O3/c1-7(8(12)13)10-9(14)11-5-3-2-4-6-11/h7H,2-6H2,1H3,(H,10,14)(H,12,13)/t7-/m0/s1
InChIKeyQHMTYZYYMAMFMV-ZETCQYMHSA-N
MW200.24 g/mol
LogP0.65
Rot. Bonds2

About (2S)-2-(piperidine-1-carbonylamino)propanoic acid

(2S)-2-(piperidine-1-carbonylamino)propanoic acid (PubChem CID 945005) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is (2S)-2-(piperidine-1-carbonylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(piperidine-1-carbonylamino)propanoic acid
PubChem CID945005
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name(2S)-2-(piperidine-1-carbonylamino)propanoic acid
SMILESC[C@H](NC(=O)N1CCCCC1)C(=O)O
InChIInChI=1S/C9H16N2O3/c1-7(8(12)13)10-9(14)11-5-3-2-4-6-11/h7H,2-6H2,1H3,(H,10,14)(H,12,13)/t7-/m0/s1
InChIKeyQHMTYZYYMAMFMV-ZETCQYMHSA-N
XLogP0.65
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(piperazine-1-carbonylamino)propanoic acid
CID 78972178
(2R)-2-(azocane-1-carbonylamino)-3-methylbutanoic acid
CID 79010449
(2S)-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 942904
2-[(4-hydroxypiperidine-1-carbonyl)amino]propanoic acid
CID 61189969
N-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]piperidine-1-carboxamide
CID 44549258
N-(1-hydroxypropan-2-yl)azepane-1-carboxamide
CID 112729482
(2R)-2-[(4-cyclopentylpiperazine-1-carbonyl)amino]propanoic acid
CID 78989393
2-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]propanoic acid
CID 61202561
(2S)-2-[[4-(dimethylamino)piperidine-1-carbonyl]amino]propanoic acid
CID 78967875
N-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperidine-1-carboxamide
CID 116657686
N-(1-amino-1-hydroxyiminopropan-2-yl)azepane-1-carboxamide
CID 79152481
2-[(4-propylpiperazine-1-carbonyl)amino]propanoic acid
CID 61188565

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(piperidine-1-carbonylamino)propanoic acid?
The IUPAC name of (2S)-2-(piperidine-1-carbonylamino)propanoic acid (CID 945005) is (2S)-2-(piperidine-1-carbonylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(piperidine-1-carbonylamino)propanoic acid?
The canonical SMILES for (2S)-2-(piperidine-1-carbonylamino)propanoic acid is C[C@H](NC(=O)N1CCCCC1)C(=O)O.
What is the InChIKey of (2S)-2-(piperidine-1-carbonylamino)propanoic acid?
The InChIKey is QHMTYZYYMAMFMV-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-7(8(12)13)10-9(14)11-5-3-2-4-6-11/h7H,2-6H2,1H3,(H,10,14)(H,12,13)/t7-/m0/s1.
What are the key properties of (2S)-2-(piperidine-1-carbonylamino)propanoic acid?
(2S)-2-(piperidine-1-carbonylamino)propanoic acid has a molecular weight of 200.24 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(piperidine-1-carbonylamino)propanoic acid is sourced from PubChem (CID 945005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).