2-[2-(cyclohexylamino)-2-oxoethyl]-4,4-dimethylpentanoic acid

C15H27NO3 — CID 135054940

IUPAC2-[2-(cyclohexylamino)-2-oxoethyl]-4,4-dimethylpentanoic acid
SMILESCC(C)(C)CC(CC(=O)NC1CCCCC1)C(=O)O
InChIInChI=1S/C15H27NO3/c1-15(2,3)10-11(14(18)19)9-13(17)16-12-7-5-4-6-8-12/h11-12H,4-10H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyGYBATJUAKIXXPU-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.96
Rot. Bonds5

About 2-[2-(cyclohexylamino)-2-oxoethyl]-4,4-dimethylpentanoic acid

2-[2-(cyclohexylamino)-2-oxoethyl]-4,4-dimethylpentanoic acid (PubChem CID 135054940) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 2-[2-(cyclohexylamino)-2-oxoethyl]-4,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2-[2-(cyclohexylamino)-2-oxoethyl]-4,4-dimethylpentanoic acid
PubChem CID135054940
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name2-[2-(cyclohexylamino)-2-oxoethyl]-4,4-dimethylpentanoic acid
SMILESCC(C)(C)CC(CC(=O)NC1CCCCC1)C(=O)O
InChIInChI=1S/C15H27NO3/c1-15(2,3)10-11(14(18)19)9-13(17)16-12-7-5-4-6-8-12/h11-12H,4-10H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyGYBATJUAKIXXPU-UHFFFAOYSA-N
XLogP2.96
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(acetamidomethyl)-5-methylhexanoic acid
CID 57734488
1-[(Cyclopropylcarbamoyl)methyl]cyclohexane-1-carboxylic acid
CID 4962847
2-[(Isopropylamino)carbonyl]cyclohexanecarboxylic acid
CID 2788077
(3S)-5-methyl-3-(pentanamidomethyl)hexanoic acid
CID 65493468
1-{[(Propan-2-yl)carbamoyl]methyl}cyclopentane-1-carboxylic acid
CID 2474304
(1S,3R)-3-acetamidocyclohexane-1-carboxylic acid
CID 95375248
1-[[(2-Methyl-1-oxopropyl)amino]methyl]cyclohexaneacetic Acid
CID 61660406
4-[(2-Ethylhexyl)amino]-4-oxobutanoic acid
CID 2932551
(1S,3R)-3-acetamido-2,2-dimethylcyclobutane-1-carboxylic acid
CID 11183048
N-cyclohexyl-4-methylpimelamic acid
CID 129804538
2,2-Dimethyl-4-oxo-4-[[4-(trifluoromethyl)cyclohexyl]amino]butanoic acid
CID 65302649
2,2-Dimethyl-4-oxo-4-[[2-(trifluoromethyl)cyclohexyl]amino]butanoic acid
CID 65302650

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexylamino)-2-oxoethyl]-4,4-dimethylpentanoic acid?
The IUPAC name of 2-[2-(cyclohexylamino)-2-oxoethyl]-4,4-dimethylpentanoic acid (CID 135054940) is 2-[2-(cyclohexylamino)-2-oxoethyl]-4,4-dimethylpentanoic acid.
What is the SMILES notation for 2-[2-(cyclohexylamino)-2-oxoethyl]-4,4-dimethylpentanoic acid?
The canonical SMILES for 2-[2-(cyclohexylamino)-2-oxoethyl]-4,4-dimethylpentanoic acid is CC(C)(C)CC(CC(=O)NC1CCCCC1)C(=O)O.
What is the InChIKey of 2-[2-(cyclohexylamino)-2-oxoethyl]-4,4-dimethylpentanoic acid?
The InChIKey is GYBATJUAKIXXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-15(2,3)10-11(14(18)19)9-13(17)16-12-7-5-4-6-8-12/h11-12H,4-10H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-[2-(cyclohexylamino)-2-oxoethyl]-4,4-dimethylpentanoic acid?
2-[2-(cyclohexylamino)-2-oxoethyl]-4,4-dimethylpentanoic acid has a molecular weight of 269.38 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexylamino)-2-oxoethyl]-4,4-dimethylpentanoic acid is sourced from PubChem (CID 135054940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).