(2S)-2-[(4-ethylpiperidine-2-carbonyl)amino]butanoic acid

C12H22N2O3 — CID 104921968

IUPAC(2S)-2-[(4-ethylpiperidine-2-carbonyl)amino]butanoic acid
SMILESCCC1CCNC(C(=O)N[C@@H](CC)C(=O)O)C1
InChIInChI=1S/C12H22N2O3/c1-3-8-5-6-13-10(7-8)11(15)14-9(4-2)12(16)17/h8-10,13H,3-7H2,1-2H3,(H,14,15)(H,16,17)/t8?,9-,10?/m0/s1
InChIKeyYSWQWHNXMUMIKD-KYHHOPLUSA-N
MW242.32 g/mol
LogP0.74
Rot. Bonds5

About (2S)-2-[(4-ethylpiperidine-2-carbonyl)amino]butanoic acid

(2S)-2-[(4-ethylpiperidine-2-carbonyl)amino]butanoic acid (PubChem CID 104921968) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is (2S)-2-[(4-ethylpiperidine-2-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2S)-2-[(4-ethylpiperidine-2-carbonyl)amino]butanoic acid
PubChem CID104921968
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name(2S)-2-[(4-ethylpiperidine-2-carbonyl)amino]butanoic acid
SMILESCCC1CCNC(C(=O)N[C@@H](CC)C(=O)O)C1
InChIInChI=1S/C12H22N2O3/c1-3-8-5-6-13-10(7-8)11(15)14-9(4-2)12(16)17/h8-10,13H,3-7H2,1-2H3,(H,14,15)(H,16,17)/t8?,9-,10?/m0/s1
InChIKeyYSWQWHNXMUMIKD-KYHHOPLUSA-N
XLogP0.74
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(4-ethylpiperidine-2-carbonyl)amino]-4-methoxy-4-oxobutanoic acid
CID 104921912
4-ethyl-N-(3-methylbutan-2-yl)piperidine-2-carboxamide
CID 114428012
4-ethyl-N-(1-hydroxybutan-2-yl)piperidine-2-carboxamide
CID 114428056
2-[[(2R)-piperidine-2-carbonyl]amino]butanoic acid
CID 104913581
4-ethyl-N-(4-hydroxy-3-methylbutan-2-yl)piperidine-2-carboxamide
CID 114429550
4-ethyl-N-(1-methoxypropan-2-yl)piperidine-2-carboxamide
CID 114427831
4-ethyl-N-(1-phenylethyl)piperidine-2-carboxamide
CID 114427805
2-(thiomorpholine-3-carbonylamino)butanoic acid
CID 82908141
4-ethyl-N-propan-2-ylsulfonylpiperidine-2-carboxamide
CID 103307962
4-ethyl-N-[2-(ethylamino)-2-oxoethyl]piperidine-2-carboxamide
CID 114428095
4-ethyl-N-(3-ethyl-2-hydroxypentyl)piperidine-2-carboxamide
CID 106286595
4-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-2-carboxamide
CID 114428064

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-ethylpiperidine-2-carbonyl)amino]butanoic acid?
The IUPAC name of (2S)-2-[(4-ethylpiperidine-2-carbonyl)amino]butanoic acid (CID 104921968) is (2S)-2-[(4-ethylpiperidine-2-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2S)-2-[(4-ethylpiperidine-2-carbonyl)amino]butanoic acid?
The canonical SMILES for (2S)-2-[(4-ethylpiperidine-2-carbonyl)amino]butanoic acid is CCC1CCNC(C(=O)N[C@@H](CC)C(=O)O)C1.
What is the InChIKey of (2S)-2-[(4-ethylpiperidine-2-carbonyl)amino]butanoic acid?
The InChIKey is YSWQWHNXMUMIKD-KYHHOPLUSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-8-5-6-13-10(7-8)11(15)14-9(4-2)12(16)17/h8-10,13H,3-7H2,1-2H3,(H,14,15)(H,16,17)/t8?,9-,10?/m0/s1.
What are the key properties of (2S)-2-[(4-ethylpiperidine-2-carbonyl)amino]butanoic acid?
(2S)-2-[(4-ethylpiperidine-2-carbonyl)amino]butanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-ethylpiperidine-2-carbonyl)amino]butanoic acid is sourced from PubChem (CID 104921968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).