2-[[1-(2-methoxyphenyl)cyclopentanecarbonyl]amino]acetic acid

C15H19NO4 — CID 110466240

IUPAC2-[[1-(2-methoxyphenyl)cyclopentanecarbonyl]amino]acetic acid
SMILESCOc1ccccc1C1(C(=O)NCC(=O)O)CCCC1
InChIInChI=1S/C15H19NO4/c1-20-12-7-3-2-6-11(12)15(8-4-5-9-15)14(19)16-10-13(17)18/h2-3,6-7H,4-5,8-10H2,1H3,(H,16,19)(H,17,18)
InChIKeyJIYHKVVVFSMJGN-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.71
Rot. Bonds5

About 2-[[1-(2-methoxyphenyl)cyclopentanecarbonyl]amino]acetic acid

2-[[1-(2-methoxyphenyl)cyclopentanecarbonyl]amino]acetic acid (PubChem CID 110466240) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[[1-(2-methoxyphenyl)cyclopentanecarbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-(2-methoxyphenyl)cyclopentanecarbonyl]amino]acetic acid
PubChem CID110466240
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name2-[[1-(2-methoxyphenyl)cyclopentanecarbonyl]amino]acetic acid
SMILESCOc1ccccc1C1(C(=O)NCC(=O)O)CCCC1
InChIInChI=1S/C15H19NO4/c1-20-12-7-3-2-6-11(12)15(8-4-5-9-15)14(19)16-10-13(17)18/h2-3,6-7H,4-5,8-10H2,1H3,(H,16,19)(H,17,18)
InChIKeyJIYHKVVVFSMJGN-UHFFFAOYSA-N
XLogP1.71
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[[1-(2-methoxyphenyl)cyclohexanecarbonyl]amino]ethyldisulfanyl]propanoic acid
CID 166422320
4-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]butanoic acid
CID 110466088
1-(2-methoxyphenyl)-N-prop-2-enylcyclobutane-1-carboxamide
CID 110486813
3-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]butanoic acid
CID 119220664
1-(2-methoxyphenyl)cyclohexane-1-carbohydrazide
CID 116844537
1-(2-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 23151680
N-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)cyclobutane-1-carboxamide
CID 110438073
N-[2-(4-fluorophenyl)ethyl]-1-(2-methoxyphenyl)cyclobutane-1-carboxamide
CID 110438088
N-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 110437951
2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]acetic acid
CID 110466030
N-[(2-methoxyphenyl)methyl]-1-phenylcyclopentane-1-carboxamide
CID 4644139
4-(2-methoxyphenyl)-N-[(4-phenylsulfanyloxan-4-yl)methyl]oxane-4-carboxamide
CID 90604708

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-methoxyphenyl)cyclopentanecarbonyl]amino]acetic acid?
The IUPAC name of 2-[[1-(2-methoxyphenyl)cyclopentanecarbonyl]amino]acetic acid (CID 110466240) is 2-[[1-(2-methoxyphenyl)cyclopentanecarbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[1-(2-methoxyphenyl)cyclopentanecarbonyl]amino]acetic acid?
The canonical SMILES for 2-[[1-(2-methoxyphenyl)cyclopentanecarbonyl]amino]acetic acid is COc1ccccc1C1(C(=O)NCC(=O)O)CCCC1.
What is the InChIKey of 2-[[1-(2-methoxyphenyl)cyclopentanecarbonyl]amino]acetic acid?
The InChIKey is JIYHKVVVFSMJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-20-12-7-3-2-6-11(12)15(8-4-5-9-15)14(19)16-10-13(17)18/h2-3,6-7H,4-5,8-10H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 2-[[1-(2-methoxyphenyl)cyclopentanecarbonyl]amino]acetic acid?
2-[[1-(2-methoxyphenyl)cyclopentanecarbonyl]amino]acetic acid has a molecular weight of 277.32 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-methoxyphenyl)cyclopentanecarbonyl]amino]acetic acid is sourced from PubChem (CID 110466240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).