2-[[(4-hydroxy-4-methylazepane-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid

C15H26N2O4 — CID 107405688

IUPAC2-[[(4-hydroxy-4-methylazepane-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESCC1(O)CCCN(C(=O)NCC2CCCC2C(=O)O)CC1
InChIInChI=1S/C15H26N2O4/c1-15(21)6-3-8-17(9-7-15)14(20)16-10-11-4-2-5-12(11)13(18)19/h11-12,21H,2-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyYYLLLOFIDPWVPE-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.43
Rot. Bonds3

About 2-[[(4-hydroxy-4-methylazepane-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid

2-[[(4-hydroxy-4-methylazepane-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 107405688) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-[[(4-hydroxy-4-methylazepane-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[(4-hydroxy-4-methylazepane-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID107405688
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2-[[(4-hydroxy-4-methylazepane-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESCC1(O)CCCN(C(=O)NCC2CCCC2C(=O)O)CC1
InChIInChI=1S/C15H26N2O4/c1-15(21)6-3-8-17(9-7-15)14(20)16-10-11-4-2-5-12(11)13(18)19/h11-12,21H,2-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyYYLLLOFIDPWVPE-UHFFFAOYSA-N
XLogP1.43
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81116282
2-[[(3,4-dimethylpyrrolidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 79181775
2-[[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 66477997
N-cyclobutyl-4-hydroxy-4-methylazepane-1-carboxamide
CID 107404109
2-[[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 107228315
2-[[(2,2-dimethylcyclopropanecarbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 107000450
N-cyclopropyl-4-hydroxy-4-methylazepane-1-carboxamide
CID 107404102
2-[[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 81463935
N-butyl-4-hydroxy-4-methylazepane-1-carboxamide
CID 107404101
2-[[(3,5-dioxopiperazine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 66062412
N-[2-[(2-cyclohexylacetyl)amino]ethyl]-4-hydroxy-4-methylazepane-1-carboxamide
CID 122144324
4-hydroxy-4-methylazepane-1-carbohydrazide
CID 107405919

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-hydroxy-4-methylazepane-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[(4-hydroxy-4-methylazepane-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid (CID 107405688) is 2-[[(4-hydroxy-4-methylazepane-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[(4-hydroxy-4-methylazepane-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[(4-hydroxy-4-methylazepane-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid is CC1(O)CCCN(C(=O)NCC2CCCC2C(=O)O)CC1.
What is the InChIKey of 2-[[(4-hydroxy-4-methylazepane-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is YYLLLOFIDPWVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-15(21)6-3-8-17(9-7-15)14(20)16-10-11-4-2-5-12(11)13(18)19/h11-12,21H,2-10H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-[[(4-hydroxy-4-methylazepane-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid?
2-[[(4-hydroxy-4-methylazepane-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-hydroxy-4-methylazepane-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 107405688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).