2-[4-(1-cyclopentylethyl)-1,4-diazepan-1-yl]acetic acid

C14H26N2O2 — CID 65061835

IUPAC2-[4-(1-cyclopentylethyl)-1,4-diazepan-1-yl]acetic acid
SMILESCC(C1CCCC1)N1CCCN(CC(=O)O)CC1
InChIInChI=1S/C14H26N2O2/c1-12(13-5-2-3-6-13)16-8-4-7-15(9-10-16)11-14(17)18/h12-13H,2-11H2,1H3,(H,17,18)
InChIKeyRYFHLEFALARTTM-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.66
Rot. Bonds4

About 2-[4-(1-cyclopentylethyl)-1,4-diazepan-1-yl]acetic acid

2-[4-(1-cyclopentylethyl)-1,4-diazepan-1-yl]acetic acid (PubChem CID 65061835) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-[4-(1-cyclopentylethyl)-1,4-diazepan-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(1-cyclopentylethyl)-1,4-diazepan-1-yl]acetic acid
PubChem CID65061835
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-[4-(1-cyclopentylethyl)-1,4-diazepan-1-yl]acetic acid
SMILESCC(C1CCCC1)N1CCCN(CC(=O)O)CC1
InChIInChI=1S/C14H26N2O2/c1-12(13-5-2-3-6-13)16-8-4-7-15(9-10-16)11-14(17)18/h12-13H,2-11H2,1H3,(H,17,18)
InChIKeyRYFHLEFALARTTM-UHFFFAOYSA-N
XLogP1.66
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(1-cyclopentylethyl)-1,4-diazepan-1-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-propan-2-yl-1,4-diazepan-1-yl)acetic acid
CID 62823989
2-[4-(1-cyclobutylpropan-2-yl)-1,4-diazepan-1-yl]acetic acid
CID 113490288
2-[5-(carboxymethyl)-1,5-diazocan-1-yl]acetic acid
CID 4776245
2-(4-propan-2-yloxycarbonyl-1,4-diazepan-1-yl)acetic acid
CID 55119006
2-[4,8-bis(carboxymethyl)-11-(2-hydroxypropyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid
CID 91490050
1-(1-cyclopentylethyl)piperidine-4-carboxylic acid
CID 65056131
2-[3-(1-hydroxyethyl)piperidin-1-yl]acetic acid
CID 121201670
2-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]acetic acid
CID 129496143
2-[4-(1-amino-1-oxobutan-2-yl)-1,4-diazepan-1-yl]acetic acid
CID 62901402
3-[1-(1-cyclohexylethyl)piperidin-4-yl]propanoic acid
CID 65062735
2-[4-(propan-2-ylamino)piperidin-1-yl]acetic acid
CID 163704701
2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]acetic acid
CID 62824701

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-cyclopentylethyl)-1,4-diazepan-1-yl]acetic acid?
The IUPAC name of 2-[4-(1-cyclopentylethyl)-1,4-diazepan-1-yl]acetic acid (CID 65061835) is 2-[4-(1-cyclopentylethyl)-1,4-diazepan-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(1-cyclopentylethyl)-1,4-diazepan-1-yl]acetic acid?
The canonical SMILES for 2-[4-(1-cyclopentylethyl)-1,4-diazepan-1-yl]acetic acid is CC(C1CCCC1)N1CCCN(CC(=O)O)CC1.
What is the InChIKey of 2-[4-(1-cyclopentylethyl)-1,4-diazepan-1-yl]acetic acid?
The InChIKey is RYFHLEFALARTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-12(13-5-2-3-6-13)16-8-4-7-15(9-10-16)11-14(17)18/h12-13H,2-11H2,1H3,(H,17,18).
What are the key properties of 2-[4-(1-cyclopentylethyl)-1,4-diazepan-1-yl]acetic acid?
2-[4-(1-cyclopentylethyl)-1,4-diazepan-1-yl]acetic acid has a molecular weight of 254.37 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-cyclopentylethyl)-1,4-diazepan-1-yl]acetic acid is sourced from PubChem (CID 65061835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).