2-(piperidine-3-carbonylamino)butanoic acid

C10H18N2O3 — CID 61159662

IUPAC2-(piperidine-3-carbonylamino)butanoic acid
SMILESCCC(NC(=O)C1CCCNC1)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-2-8(10(14)15)12-9(13)7-4-3-5-11-6-7/h7-8,11H,2-6H2,1H3,(H,12,13)(H,14,15)
InChIKeyTWIIWZACCMGOHW-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.03
Rot. Bonds4

About 2-(piperidine-3-carbonylamino)butanoic acid

2-(piperidine-3-carbonylamino)butanoic acid (PubChem CID 61159662) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-(piperidine-3-carbonylamino)butanoic acid.

Molecular Properties

Compound Name2-(piperidine-3-carbonylamino)butanoic acid
PubChem CID61159662
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-(piperidine-3-carbonylamino)butanoic acid
SMILESCCC(NC(=O)C1CCCNC1)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-2-8(10(14)15)12-9(13)7-4-3-5-11-6-7/h7-8,11H,2-6H2,1H3,(H,12,13)(H,14,15)
InChIKeyTWIIWZACCMGOHW-UHFFFAOYSA-N
XLogP-0.03
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 ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[(3S)-piperidine-3-carbonyl]amino]pentanoic acid
CID 107565163
(2S)-4-hydroxy-2-[[(3S)-piperidine-3-carbonyl]amino]butanoic acid
CID 107824929
4-methoxy-2-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid
CID 81139656
4-methylsulfanyl-2-(piperidine-3-carbonylamino)butanoic acid
CID 61158625
4-methylsulfonyl-2-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid
CID 81140712
N-ethylpiperidine-3-carboxamide;hydrochloride
CID 53410852
5-amino-5-oxo-2-(piperidine-3-carbonylamino)pentanoic acid
CID 61157039
(2S)-2-[[(3S)-piperidine-3-carbonyl]amino]propanoic acid
CID 81139769
(2R)-3-phenyl-2-[[(3S)-piperidine-3-carbonyl]amino]propanoic acid
CID 104902032
(3R)-N-pent-1-yn-3-ylpiperidine-3-carboxamide
CID 106230318
N-pentan-2-ylpiperidine-3-carboxamide
CID 18072818
3-(piperidine-3-carbonylamino)butanoic acid
CID 61161193

Frequently Asked Questions

What is the IUPAC name of 2-(piperidine-3-carbonylamino)butanoic acid?
The IUPAC name of 2-(piperidine-3-carbonylamino)butanoic acid (CID 61159662) is 2-(piperidine-3-carbonylamino)butanoic acid.
What is the SMILES notation for 2-(piperidine-3-carbonylamino)butanoic acid?
The canonical SMILES for 2-(piperidine-3-carbonylamino)butanoic acid is CCC(NC(=O)C1CCCNC1)C(=O)O.
What is the InChIKey of 2-(piperidine-3-carbonylamino)butanoic acid?
The InChIKey is TWIIWZACCMGOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-2-8(10(14)15)12-9(13)7-4-3-5-11-6-7/h7-8,11H,2-6H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-(piperidine-3-carbonylamino)butanoic acid?
2-(piperidine-3-carbonylamino)butanoic acid has a molecular weight of 214.26 g/mol, XLogP of -0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidine-3-carbonylamino)butanoic acid is sourced from PubChem (CID 61159662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).