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

C15H26N2O4 — CID 116635555

IUPAC2-[[[2-(hydroxymethyl)azepane-1-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1CNC(=O)N1CCCCCC1CO
InChIInChI=1S/C15H26N2O4/c18-10-12-6-2-1-3-8-17(12)15(21)16-9-11-5-4-7-13(11)14(19)20/h11-13,18H,1-10H2,(H,16,21)(H,19,20)
InChIKeyOTXXPBXORRAWPZ-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.43
Rot. Bonds4

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

2-[[[2-(hydroxymethyl)azepane-1-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 116635555) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-[[[2-(hydroxymethyl)azepane-1-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[[2-(hydroxymethyl)azepane-1-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID116635555
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2-[[[2-(hydroxymethyl)azepane-1-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1CNC(=O)N1CCCCCC1CO
InChIInChI=1S/C15H26N2O4/c18-10-12-6-2-1-3-8-17(12)15(21)16-9-11-5-4-7-13(11)14(19)20/h11-13,18H,1-10H2,(H,16,21)(H,19,20)
InChIKeyOTXXPBXORRAWPZ-UHFFFAOYSA-N
XLogP1.43
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
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

cis-(1R,3S)-3-[[2-(hydroxymethyl)azepane-1-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 106320170
2-[2-(hydroxymethyl)azepane-1-carbonyl]cyclohexane-1-carboxylic acid
CID 116634329
2-(hydroxymethyl)-N-propylpiperidine-1-carboxamide
CID 43574129
4-[2-(hydroxymethyl)azepane-1-carbonyl]cyclohexane-1-carboxylic acid
CID 116635794
(2-aminocyclopentyl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116634506
2-[[(3,4-dimethylpyrrolidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 79181775
2-[1-(cyclobutylmethylcarbamoyl)piperidin-2-yl]acetic acid
CID 61197423
2-hydroxy-4-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 114007247
2-[[(3,5-dioxopiperazine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 66062412
2-[[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 107228315
2-[[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 83220052
2-[[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81116282

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(hydroxymethyl)azepane-1-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[[2-(hydroxymethyl)azepane-1-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid (CID 116635555) is 2-[[[2-(hydroxymethyl)azepane-1-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[[2-(hydroxymethyl)azepane-1-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[[2-(hydroxymethyl)azepane-1-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1CNC(=O)N1CCCCCC1CO.
What is the InChIKey of 2-[[[2-(hydroxymethyl)azepane-1-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is OTXXPBXORRAWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c18-10-12-6-2-1-3-8-17(12)15(21)16-9-11-5-4-7-13(11)14(19)20/h11-13,18H,1-10H2,(H,16,21)(H,19,20).
What are the key properties of 2-[[[2-(hydroxymethyl)azepane-1-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid?
2-[[[2-(hydroxymethyl)azepane-1-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.43, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(hydroxymethyl)azepane-1-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 116635555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).