1-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-3-methylcyclohexane-1-carboxylic acid

C14H24N2O4 — CID 115965766

IUPAC1-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-3-methylcyclohexane-1-carboxylic acid
SMILESCC1CCCC(NC(=O)N2CCC(CO)C2)(C(=O)O)C1
InChIInChI=1S/C14H24N2O4/c1-10-3-2-5-14(7-10,12(18)19)15-13(20)16-6-4-11(8-16)9-17/h10-11,17H,2-9H2,1H3,(H,15,20)(H,18,19)
InChIKeyNBTGICOMXWOSJD-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.04
Rot. Bonds3

About 1-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-3-methylcyclohexane-1-carboxylic acid

1-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-3-methylcyclohexane-1-carboxylic acid (PubChem CID 115965766) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-3-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-3-methylcyclohexane-1-carboxylic acid
PubChem CID115965766
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name1-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-3-methylcyclohexane-1-carboxylic acid
SMILESCC1CCCC(NC(=O)N2CCC(CO)C2)(C(=O)O)C1
InChIInChI=1S/C14H24N2O4/c1-10-3-2-5-14(7-10,12(18)19)15-13(20)16-6-4-11(8-16)9-17/h10-11,17H,2-9H2,1H3,(H,15,20)(H,18,19)
InChIKeyNBTGICOMXWOSJD-UHFFFAOYSA-N
XLogP1.04
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-3-methylcyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 81162733
1-[(2,6-dimethylmorpholine-4-carbonyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 61290338
1-[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]-3-methylcyclohexane-1-carboxylic acid
CID 102783217
1-[(3-methylpyrrolidine-1-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 61225245
1-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 64596804
1-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]-4-methylcyclohexane-1-carboxylic acid
CID 64598227
4-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]oxane-4-carboxylic acid
CID 114799059
1-(butanoylamino)-3-methylcyclohexane-1-carboxylic acid
CID 61289591
N-(2,2-dimethylcyclopentyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111841157
1-[(3-amino-2-methylpropanoyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 62668574
1-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 61408559
1-[(3,5-dimethylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 61190558

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-3-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-3-methylcyclohexane-1-carboxylic acid (CID 115965766) is 1-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-3-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-3-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-3-methylcyclohexane-1-carboxylic acid is CC1CCCC(NC(=O)N2CCC(CO)C2)(C(=O)O)C1.
What is the InChIKey of 1-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-3-methylcyclohexane-1-carboxylic acid?
The InChIKey is NBTGICOMXWOSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-10-3-2-5-14(7-10,12(18)19)15-13(20)16-6-4-11(8-16)9-17/h10-11,17H,2-9H2,1H3,(H,15,20)(H,18,19).
What are the key properties of 1-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-3-methylcyclohexane-1-carboxylic acid?
1-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-3-methylcyclohexane-1-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.04, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-3-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 115965766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).