(2S)-2-[(4-ethylpiperidine-1-carbonyl)amino]-3-methylpentanoic acid

C14H26N2O3 — CID 61422004

IUPAC(2S)-2-[(4-ethylpiperidine-1-carbonyl)amino]-3-methylpentanoic acid
SMILESCCC1CCN(C(=O)N[C@H](C(=O)O)C(C)CC)CC1
InChIInChI=1S/C14H26N2O3/c1-4-10(3)12(13(17)18)15-14(19)16-8-6-11(5-2)7-9-16/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18)/t10?,12-/m0/s1
InChIKeyVQJBDHKUKWYKQI-KFJBMODSSA-N
MW270.37 g/mol
LogP2.32
Rot. Bonds5

About (2S)-2-[(4-ethylpiperidine-1-carbonyl)amino]-3-methylpentanoic acid

(2S)-2-[(4-ethylpiperidine-1-carbonyl)amino]-3-methylpentanoic acid (PubChem CID 61422004) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is (2S)-2-[(4-ethylpiperidine-1-carbonyl)amino]-3-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(4-ethylpiperidine-1-carbonyl)amino]-3-methylpentanoic acid
PubChem CID61422004
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name(2S)-2-[(4-ethylpiperidine-1-carbonyl)amino]-3-methylpentanoic acid
SMILESCCC1CCN(C(=O)N[C@H](C(=O)O)C(C)CC)CC1
InChIInChI=1S/C14H26N2O3/c1-4-10(3)12(13(17)18)15-14(19)16-8-6-11(5-2)7-9-16/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18)/t10?,12-/m0/s1
InChIKeyVQJBDHKUKWYKQI-KFJBMODSSA-N
XLogP2.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-2-[(4-aminopiperidine-1-carbonyl)amino]-3-methylpentanoic acid
CID 61402964
(2S)-3-methyl-2-[(4-propan-2-ylpiperidine-1-carbonyl)amino]pentanoic acid
CID 103500332
(2R,3S)-3-methyl-2-(pyrrolidine-1-carbonylamino)pentanoic acid
CID 51420775
3-methyl-2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 61440018
(2S)-3-methyl-2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 61440255
(2S)-2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-3-methylpentanoic acid
CID 62931544
3-methyl-2-(piperazine-1-carbonylamino)pentanoic acid
CID 61405662
(2S)-3-methyl-2-(1,4-thiazepane-4-carbonylamino)pentanoic acid
CID 61423283
(2S,3S)-3-methyl-2-[(4-methylsulfonylpiperazine-1-carbonyl)amino]pentanoic acid
CID 62992431
2-[(3-methoxypiperidine-1-carbonyl)amino]-3-methylpentanoic acid
CID 102963015
2-[(2-ethylmorpholine-4-carbonyl)amino]-3-methylpentanoic acid
CID 61203036
2-[(4-ethylcyclohexyl)carbamoylamino]-3-methylpentanoic acid
CID 61468155

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-ethylpiperidine-1-carbonyl)amino]-3-methylpentanoic acid?
The IUPAC name of (2S)-2-[(4-ethylpiperidine-1-carbonyl)amino]-3-methylpentanoic acid (CID 61422004) is (2S)-2-[(4-ethylpiperidine-1-carbonyl)amino]-3-methylpentanoic acid.
What is the SMILES notation for (2S)-2-[(4-ethylpiperidine-1-carbonyl)amino]-3-methylpentanoic acid?
The canonical SMILES for (2S)-2-[(4-ethylpiperidine-1-carbonyl)amino]-3-methylpentanoic acid is CCC1CCN(C(=O)N[C@H](C(=O)O)C(C)CC)CC1.
What is the InChIKey of (2S)-2-[(4-ethylpiperidine-1-carbonyl)amino]-3-methylpentanoic acid?
The InChIKey is VQJBDHKUKWYKQI-KFJBMODSSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-10(3)12(13(17)18)15-14(19)16-8-6-11(5-2)7-9-16/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18)/t10?,12-/m0/s1.
What are the key properties of (2S)-2-[(4-ethylpiperidine-1-carbonyl)amino]-3-methylpentanoic acid?
(2S)-2-[(4-ethylpiperidine-1-carbonyl)amino]-3-methylpentanoic acid has a molecular weight of 270.37 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-ethylpiperidine-1-carbonyl)amino]-3-methylpentanoic acid is sourced from PubChem (CID 61422004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).