1-[cyclopentylmethyl(methyl)carbamoyl]azepane-2-carboxylic acid

C15H26N2O3 — CID 64564499

IUPAC1-[cyclopentylmethyl(methyl)carbamoyl]azepane-2-carboxylic acid
SMILESCN(CC1CCCC1)C(=O)N1CCCCCC1C(=O)O
InChIInChI=1S/C15H26N2O3/c1-16(11-12-7-4-5-8-12)15(20)17-10-6-2-3-9-13(17)14(18)19/h12-13H,2-11H2,1H3,(H,18,19)
InChIKeyXBKSBOVZAZZADI-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.56
Rot. Bonds3

About 1-[cyclopentylmethyl(methyl)carbamoyl]azepane-2-carboxylic acid

1-[cyclopentylmethyl(methyl)carbamoyl]azepane-2-carboxylic acid (PubChem CID 64564499) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[cyclopentylmethyl(methyl)carbamoyl]azepane-2-carboxylic acid.

Molecular Properties

Compound Name1-[cyclopentylmethyl(methyl)carbamoyl]azepane-2-carboxylic acid
PubChem CID64564499
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-[cyclopentylmethyl(methyl)carbamoyl]azepane-2-carboxylic acid
SMILESCN(CC1CCCC1)C(=O)N1CCCCCC1C(=O)O
InChIInChI=1S/C15H26N2O3/c1-16(11-12-7-4-5-8-12)15(20)17-10-6-2-3-9-13(17)14(18)19/h12-13H,2-11H2,1H3,(H,18,19)
InChIKeyXBKSBOVZAZZADI-UHFFFAOYSA-N
XLogP2.56
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]piperidine-2-carboxylic acid
CID 63234842
2-[1-[cyclohexylmethyl(methyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61444100
1-[cyclopentylmethyl(methyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071655
1-[cyclohexylmethyl(methyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782013
1-[cyclopropylmethyl(propan-2-yl)carbamoyl]piperidine-2-carboxylic acid
CID 55000610
1-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]azepane-2-carboxylic acid
CID 114950755
(2S)-1-[cyclopentylmethyl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63657175
(2R)-1-[2-(dimethylamino)ethyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 55226778
1-[cyclopentylmethyl(methyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79382649
1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61196249
1-[1-hydroxypropan-2-yl(methyl)carbamoyl]azocane-2-carboxylic acid
CID 114239873
1-[benzyl(methyl)carbamoyl]piperidine-2-carboxylic acid
CID 61186390

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopentylmethyl(methyl)carbamoyl]azepane-2-carboxylic acid?
The IUPAC name of 1-[cyclopentylmethyl(methyl)carbamoyl]azepane-2-carboxylic acid (CID 64564499) is 1-[cyclopentylmethyl(methyl)carbamoyl]azepane-2-carboxylic acid.
What is the SMILES notation for 1-[cyclopentylmethyl(methyl)carbamoyl]azepane-2-carboxylic acid?
The canonical SMILES for 1-[cyclopentylmethyl(methyl)carbamoyl]azepane-2-carboxylic acid is CN(CC1CCCC1)C(=O)N1CCCCCC1C(=O)O.
What is the InChIKey of 1-[cyclopentylmethyl(methyl)carbamoyl]azepane-2-carboxylic acid?
The InChIKey is XBKSBOVZAZZADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-16(11-12-7-4-5-8-12)15(20)17-10-6-2-3-9-13(17)14(18)19/h12-13H,2-11H2,1H3,(H,18,19).
What are the key properties of 1-[cyclopentylmethyl(methyl)carbamoyl]azepane-2-carboxylic acid?
1-[cyclopentylmethyl(methyl)carbamoyl]azepane-2-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopentylmethyl(methyl)carbamoyl]azepane-2-carboxylic acid is sourced from PubChem (CID 64564499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).