2-[3-[(1-carbamoylcyclopentyl)methylcarbamoyl]phenoxy]acetic acid

C16H20N2O5 — CID 119185603

IUPAC2-[3-[(1-carbamoylcyclopentyl)methylcarbamoyl]phenoxy]acetic acid
SMILESNC(=O)C1(CNC(=O)c2cccc(OCC(=O)O)c2)CCCC1
InChIInChI=1S/C16H20N2O5/c17-15(22)16(6-1-2-7-16)10-18-14(21)11-4-3-5-12(8-11)23-9-13(19)20/h3-5,8H,1-2,6-7,9-10H2,(H2,17,22)(H,18,21)(H,19,20)
InChIKeyYNPIPALXRVORAR-UHFFFAOYSA-N
MW320.35 g/mol
LogP0.93
Rot. Bonds7

About 2-[3-[(1-carbamoylcyclopentyl)methylcarbamoyl]phenoxy]acetic acid

2-[3-[(1-carbamoylcyclopentyl)methylcarbamoyl]phenoxy]acetic acid (PubChem CID 119185603) has the molecular formula C16H20N2O5 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-[3-[(1-carbamoylcyclopentyl)methylcarbamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[(1-carbamoylcyclopentyl)methylcarbamoyl]phenoxy]acetic acid
PubChem CID119185603
Molecular FormulaC16H20N2O5
Molecular Weight320.35 g/mol
Exact Mass320.14
IUPAC Name2-[3-[(1-carbamoylcyclopentyl)methylcarbamoyl]phenoxy]acetic acid
SMILESNC(=O)C1(CNC(=O)c2cccc(OCC(=O)O)c2)CCCC1
InChIInChI=1S/C16H20N2O5/c17-15(22)16(6-1-2-7-16)10-18-14(21)11-4-3-5-12(8-11)23-9-13(19)20/h3-5,8H,1-2,6-7,9-10H2,(H2,17,22)(H,18,21)(H,19,20)
InChIKeyYNPIPALXRVORAR-UHFFFAOYSA-N
XLogP0.93
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[3-[(1-carbamoylcyclopentyl)methylcarbamoyl]phenoxy]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-[3-[(1-cyclopropylcyclobutyl)methylcarbamoyl]phenoxy]acetic acid
CID 120699051
1-[[[3-(3-methoxypropoxy)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544460
2-[3-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoyl]phenoxy]acetic acid
CID 119183964
2-[3-[(4-methylsulfanyloxan-4-yl)methylcarbamoyl]phenoxy]acetic acid
CID 119186761
3-ethoxy-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 111446107
1-[[[3-(difluoromethoxy)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 81369254
2-[3-(2-methoxyethylcarbamoyl)phenoxy]acetic acid
CID 28762787
3-(2-amino-2-oxoethoxy)-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]benzamide
CID 47921805
1-[[(3-hydroxybenzoyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115443395
2-[(1-carbamoylcyclopentyl)methylcarbamoyl]pyridine-4-carboxylic acid
CID 122055726
2-[3-(2-aminoacetyl)phenoxy]acetic acid
CID 70628823
2-[3-[(3-aminobenzoyl)amino]phenoxy]acetic acid
CID 63772021

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1-carbamoylcyclopentyl)methylcarbamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[(1-carbamoylcyclopentyl)methylcarbamoyl]phenoxy]acetic acid (CID 119185603) is 2-[3-[(1-carbamoylcyclopentyl)methylcarbamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[(1-carbamoylcyclopentyl)methylcarbamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[(1-carbamoylcyclopentyl)methylcarbamoyl]phenoxy]acetic acid is NC(=O)C1(CNC(=O)c2cccc(OCC(=O)O)c2)CCCC1.
What is the InChIKey of 2-[3-[(1-carbamoylcyclopentyl)methylcarbamoyl]phenoxy]acetic acid?
The InChIKey is YNPIPALXRVORAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5/c17-15(22)16(6-1-2-7-16)10-18-14(21)11-4-3-5-12(8-11)23-9-13(19)20/h3-5,8H,1-2,6-7,9-10H2,(H2,17,22)(H,18,21)(H,19,20).
What are the key properties of 2-[3-[(1-carbamoylcyclopentyl)methylcarbamoyl]phenoxy]acetic acid?
2-[3-[(1-carbamoylcyclopentyl)methylcarbamoyl]phenoxy]acetic acid has a molecular weight of 320.35 g/mol, XLogP of 0.93, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1-carbamoylcyclopentyl)methylcarbamoyl]phenoxy]acetic acid is sourced from PubChem (CID 119185603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).