1-[2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid

C16H27NO4 — CID 62552996

IUPAC1-[2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCC1CCC(CO)(NC(=O)CC2(C(=O)O)CCCC2)CC1
InChIInChI=1S/C16H27NO4/c1-12-4-8-16(11-18,9-5-12)17-13(19)10-15(14(20)21)6-2-3-7-15/h12,18H,2-11H2,1H3,(H,17,19)(H,20,21)
InChIKeyBNILJXXORYRBMM-UHFFFAOYSA-N
MW297.39 g/mol
LogP2.08
Rot. Bonds5

About 1-[2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid

1-[2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 62552996) has the molecular formula C16H27NO4 and a molecular weight of 297.39 g/mol. Its IUPAC name is 1-[2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID62552996
Molecular FormulaC16H27NO4
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Name1-[2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCC1CCC(CO)(NC(=O)CC2(C(=O)O)CCCC2)CC1
InChIInChI=1S/C16H27NO4/c1-12-4-8-16(11-18,9-5-12)17-13(19)10-15(14(20)21)6-2-3-7-15/h12,18H,2-11H2,1H3,(H,17,19)(H,20,21)
InChIKeyBNILJXXORYRBMM-UHFFFAOYSA-N
XLogP2.08
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

1-[2-[(4-methylcyclohexyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 63243934
5-hydroxy-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pentanamide
CID 79198654
3-cyclohexyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]propanamide
CID 62527693
3-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]butanamide
CID 62553215
N-[1-(hydroxymethyl)-4-methylcyclohexyl]cyclopropanecarboxamide
CID 62525414
(2R)-2-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]propanamide
CID 78991060
N-[1-(hydroxymethyl)-4-methylcyclohexyl]decanamide
CID 63404095
N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-(thian-4-yl)acetamide
CID 83135926
1-[2-[(2,3-dimethyloxolan-3-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 114095382
N-[1-(hydroxymethyl)cyclopentyl]-2-[1-(methylamino)cyclohexyl]acetamide
CID 65242231
N-[1-(hydroxymethyl)-4-methylcyclohexyl]prop-2-enamide
CID 62526480
1-[2-oxo-2-[(2,2,3,3-tetramethylcyclopropyl)amino]ethyl]cyclohexane-1-carboxylic acid
CID 79358096

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 62552996) is 1-[2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid is CC1CCC(CO)(NC(=O)CC2(C(=O)O)CCCC2)CC1.
What is the InChIKey of 1-[2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is BNILJXXORYRBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-12-4-8-16(11-18,9-5-12)17-13(19)10-15(14(20)21)6-2-3-7-15/h12,18H,2-11H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 1-[2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 297.39 g/mol, XLogP of 2.08, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 62552996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).