1-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]azepane-2-carboxylic acid

C15H26N2O4 — CID 114950755

IUPAC1-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]azepane-2-carboxylic acid
SMILESCN(CC1(O)CCCC1)C(=O)N1CCCCCC1C(=O)O
InChIInChI=1S/C15H26N2O4/c1-16(11-15(21)8-4-5-9-15)14(20)17-10-6-2-3-7-12(17)13(18)19/h12,21H,2-11H2,1H3,(H,18,19)
InChIKeyGOXAAHVJQDWWHE-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.67
Rot. Bonds3

About 1-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]azepane-2-carboxylic acid

1-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]azepane-2-carboxylic acid (PubChem CID 114950755) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]azepane-2-carboxylic acid.

Molecular Properties

Compound Name1-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]azepane-2-carboxylic acid
PubChem CID114950755
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]azepane-2-carboxylic acid
SMILESCN(CC1(O)CCCC1)C(=O)N1CCCCCC1C(=O)O
InChIInChI=1S/C15H26N2O4/c1-16(11-15(21)8-4-5-9-15)14(20)17-10-6-2-3-7-12(17)13(18)19/h12,21H,2-11H2,1H3,(H,18,19)
InChIKeyGOXAAHVJQDWWHE-UHFFFAOYSA-N
XLogP1.67
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 104985552
1-[cyclopentylmethyl(methyl)carbamoyl]azepane-2-carboxylic acid
CID 64564499
(2R)-1-[2-(dimethylamino)ethyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 55226778
1-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107439416
1-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]piperidine-2-carboxylic acid
CID 63234842
1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61196249
1-[1-hydroxypropan-2-yl(methyl)carbamoyl]azocane-2-carboxylic acid
CID 114239873
4-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114951146
1-[benzyl(methyl)carbamoyl]piperidine-2-carboxylic acid
CID 61186390
1-[methyl(3-methylbutan-2-yl)carbamoyl]azepane-2-carboxylic acid
CID 64561748
(2R)-1-[3-(dimethylamino)propyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78948208
(2R)-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 55149110

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]azepane-2-carboxylic acid?
The IUPAC name of 1-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]azepane-2-carboxylic acid (CID 114950755) is 1-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]azepane-2-carboxylic acid.
What is the SMILES notation for 1-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]azepane-2-carboxylic acid?
The canonical SMILES for 1-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]azepane-2-carboxylic acid is CN(CC1(O)CCCC1)C(=O)N1CCCCCC1C(=O)O.
What is the InChIKey of 1-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]azepane-2-carboxylic acid?
The InChIKey is GOXAAHVJQDWWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-16(11-15(21)8-4-5-9-15)14(20)17-10-6-2-3-7-12(17)13(18)19/h12,21H,2-11H2,1H3,(H,18,19).
What are the key properties of 1-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]azepane-2-carboxylic acid?
1-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]azepane-2-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]azepane-2-carboxylic acid is sourced from PubChem (CID 114950755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).