2-[[(2R)-piperidine-2-carbonyl]amino]butanoic acid

C10H18N2O3 — CID 104913581

IUPAC2-[[(2R)-piperidine-2-carbonyl]amino]butanoic acid
SMILESCCC(NC(=O)[C@H]1CCCCN1)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-2-7(10(14)15)12-9(13)8-5-3-4-6-11-8/h7-8,11H,2-6H2,1H3,(H,12,13)(H,14,15)/t7?,8-/m1/s1
InChIKeyGRVAHOAIVXILSM-BRFYHDHCSA-N
MW214.26 g/mol
LogP0.11
Rot. Bonds4

About 2-[[(2R)-piperidine-2-carbonyl]amino]butanoic acid

2-[[(2R)-piperidine-2-carbonyl]amino]butanoic acid (PubChem CID 104913581) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-[[(2R)-piperidine-2-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[[(2R)-piperidine-2-carbonyl]amino]butanoic acid
PubChem CID104913581
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-[[(2R)-piperidine-2-carbonyl]amino]butanoic acid
SMILESCCC(NC(=O)[C@H]1CCCCN1)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-2-7(10(14)15)12-9(13)8-5-3-4-6-11-8/h7-8,11H,2-6H2,1H3,(H,12,13)(H,14,15)/t7?,8-/m1/s1
InChIKeyGRVAHOAIVXILSM-BRFYHDHCSA-N
XLogP0.11
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2S)-piperidine-2-carbonyl]amino]pentanoic acid
CID 103869509
3-hydroxy-2-[[(2R)-piperidine-2-carbonyl]amino]propanoic acid
CID 104913543
methyl 2-[[(2S)-piperidine-2-carbonyl]amino]butanoate
CID 119709028
(2S)-4-methyl-2-(piperidine-2-carbonylamino)pentanoic acid
CID 61160577
N-[(2R)-1-amino-1-oxobutan-2-yl]pyrrolidine-2-carboxamide
CID 163300708
(2R)-3-hydroxy-2-(pyrrolidine-2-carbonylamino)propanoic acid
CID 80751621
(2R)-5-amino-5-oxo-2-[[(2R)-piperidine-2-carbonyl]amino]pentanoic acid
CID 107830274
(2S)-5-amino-2-(azepane-2-carbonylamino)-5-oxopentanoic acid
CID 64564036
4-hydroxy-2-[[(2R)-pyrrolidine-2-carbonyl]amino]butanoic acid
CID 104901043
(2S)-2-[(4-ethylpiperidine-2-carbonyl)amino]butanoic acid
CID 104921968
2-(thiomorpholine-3-carbonylamino)butanoic acid
CID 82908141
N-(3-methylpentan-2-yl)azepane-2-carboxamide
CID 64564622

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-piperidine-2-carbonyl]amino]butanoic acid?
The IUPAC name of 2-[[(2R)-piperidine-2-carbonyl]amino]butanoic acid (CID 104913581) is 2-[[(2R)-piperidine-2-carbonyl]amino]butanoic acid.
What is the SMILES notation for 2-[[(2R)-piperidine-2-carbonyl]amino]butanoic acid?
The canonical SMILES for 2-[[(2R)-piperidine-2-carbonyl]amino]butanoic acid is CCC(NC(=O)[C@H]1CCCCN1)C(=O)O.
What is the InChIKey of 2-[[(2R)-piperidine-2-carbonyl]amino]butanoic acid?
The InChIKey is GRVAHOAIVXILSM-BRFYHDHCSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-2-7(10(14)15)12-9(13)8-5-3-4-6-11-8/h7-8,11H,2-6H2,1H3,(H,12,13)(H,14,15)/t7?,8-/m1/s1.
What are the key properties of 2-[[(2R)-piperidine-2-carbonyl]amino]butanoic acid?
2-[[(2R)-piperidine-2-carbonyl]amino]butanoic acid has a molecular weight of 214.26 g/mol, XLogP of 0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-piperidine-2-carbonyl]amino]butanoic acid is sourced from PubChem (CID 104913581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).