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

C14H26N2O3 — CID 61203541

IUPAC(2S)-2-[(3-ethylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
SMILESCCC1CCCN(C(=O)N[C@@H](CC(C)C)C(=O)O)C1
InChIInChI=1S/C14H26N2O3/c1-4-11-6-5-7-16(9-11)14(19)15-12(13(17)18)8-10(2)3/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18)/t11?,12-/m0/s1
InChIKeyUSOYEXLVSKGAQG-KIYNQFGBSA-N
MW270.37 g/mol
LogP2.32
Rot. Bonds5

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

(2S)-2-[(3-ethylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 61203541) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is (2S)-2-[(3-ethylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(3-ethylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
PubChem CID61203541
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name(2S)-2-[(3-ethylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
SMILESCCC1CCCN(C(=O)N[C@@H](CC(C)C)C(=O)O)C1
InChIInChI=1S/C14H26N2O3/c1-4-11-6-5-7-16(9-11)14(19)15-12(13(17)18)8-10(2)3/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18)/t11?,12-/m0/s1
InChIKeyUSOYEXLVSKGAQG-KIYNQFGBSA-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

2-[(3-hydroxypiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 61438947
(2S)-5-amino-2-[(3-ethylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 61200860
(2S)-2-[(3-carbamoylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 61185431
(2R)-2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonylamino)-4-methylpentanoic acid
CID 79943683
(2R)-2-[(3,4-dimethylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 104874475
(2R)-4-methyl-2-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 78944969
2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 61209577
4-methyl-2-[(2-methyl-1,4-oxazepane-4-carbonyl)amino]pentanoic acid
CID 62967106
(2R)-2-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 107566360
(2S)-5-amino-2-[(3-ethylpyrrolidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 113418287
(2R)-4-methyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]pentanoic acid
CID 79165632
2-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]hexanoic acid
CID 106587981

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-ethylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of (2S)-2-[(3-ethylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid (CID 61203541) is (2S)-2-[(3-ethylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for (2S)-2-[(3-ethylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for (2S)-2-[(3-ethylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid is CCC1CCCN(C(=O)N[C@@H](CC(C)C)C(=O)O)C1.
What is the InChIKey of (2S)-2-[(3-ethylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid?
The InChIKey is USOYEXLVSKGAQG-KIYNQFGBSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-11-6-5-7-16(9-11)14(19)15-12(13(17)18)8-10(2)3/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18)/t11?,12-/m0/s1.
What are the key properties of (2S)-2-[(3-ethylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid?
(2S)-2-[(3-ethylpiperidine-1-carbonyl)amino]-4-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-[(3-ethylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 61203541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).