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

C15H26N2O3 — CID 82766003

IUPAC1-methyl-2-[(2-methylazepane-1-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCC1CCCCCN1C(=O)NC1CCCC1(C)C(=O)O
InChIInChI=1S/C15H26N2O3/c1-11-7-4-3-5-10-17(11)14(20)16-12-8-6-9-15(12,2)13(18)19/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyDKYAVRROPFLKOJ-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.60
Rot. Bonds2

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

1-methyl-2-[(2-methylazepane-1-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 82766003) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-methyl-2-[(2-methylazepane-1-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-[(2-methylazepane-1-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID82766003
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-methyl-2-[(2-methylazepane-1-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCC1CCCCCN1C(=O)NC1CCCC1(C)C(=O)O
InChIInChI=1S/C15H26N2O3/c1-11-7-4-3-5-10-17(11)14(20)16-12-8-6-9-15(12,2)13(18)19/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyDKYAVRROPFLKOJ-UHFFFAOYSA-N
XLogP2.60
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(hydroxymethyl)azepane-1-carbonyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 116635681
2-(azepane-1-carbonylamino)-1-methylcyclohexane-1-carboxylic acid
CID 83213614
1-methyl-2-(piperidine-1-carbonylamino)cyclohexane-1-carboxylic acid
CID 83214218
1-methyl-2-(pyrrolidine-1-carbonylamino)cyclohexane-1-carboxylic acid
CID 83213759
2-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82764549
2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82765389
1-methyl-2-(piperazine-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 82762890
N-cyclohexyl-2-methylpiperidine-1-carboxamide;ethane
CID 142002534
2-[(2,6-dimethylthiomorpholine-4-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82765853
2-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 103357296
1-methyl-2-[(4-propan-2-ylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 103500550
2-[(2-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 64816386

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(2-methylazepane-1-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-methyl-2-[(2-methylazepane-1-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 82766003) is 1-methyl-2-[(2-methylazepane-1-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-methyl-2-[(2-methylazepane-1-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-methyl-2-[(2-methylazepane-1-carbonyl)amino]cyclopentane-1-carboxylic acid is CC1CCCCCN1C(=O)NC1CCCC1(C)C(=O)O.
What is the InChIKey of 1-methyl-2-[(2-methylazepane-1-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is DKYAVRROPFLKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11-7-4-3-5-10-17(11)14(20)16-12-8-6-9-15(12,2)13(18)19/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 1-methyl-2-[(2-methylazepane-1-carbonyl)amino]cyclopentane-1-carboxylic acid?
1-methyl-2-[(2-methylazepane-1-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(2-methylazepane-1-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82766003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).