2-[(3-cyclopentyloxybenzoyl)-methylamino]acetic acid

C15H19NO4 — CID 119171827

IUPAC2-[(3-cyclopentyloxybenzoyl)-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1cccc(OC2CCCC2)c1
InChIInChI=1S/C15H19NO4/c1-16(10-14(17)18)15(19)11-5-4-8-13(9-11)20-12-6-2-3-7-12/h4-5,8-9,12H,2-3,6-7,10H2,1H3,(H,17,18)
InChIKeyQOKQLYIOJPREMJ-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.16
Rot. Bonds5

About 2-[(3-cyclopentyloxybenzoyl)-methylamino]acetic acid

2-[(3-cyclopentyloxybenzoyl)-methylamino]acetic acid (PubChem CID 119171827) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[(3-cyclopentyloxybenzoyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-cyclopentyloxybenzoyl)-methylamino]acetic acid
PubChem CID119171827
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name2-[(3-cyclopentyloxybenzoyl)-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1cccc(OC2CCCC2)c1
InChIInChI=1S/C15H19NO4/c1-16(10-14(17)18)15(19)11-5-4-8-13(9-11)20-12-6-2-3-7-12/h4-5,8-9,12H,2-3,6-7,10H2,1H3,(H,17,18)
InChIKeyQOKQLYIOJPREMJ-UHFFFAOYSA-N
XLogP2.16
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 43208744
3-cyclopentyloxybenzamide
CID 71932153
2-[[(2R)-4-(3-cyclopentyloxybenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 129473649
3-[[(1S,5R)-3-bicyclo[3.2.1]octanyl]oxy]-N,N-dimethylbenzamide
CID 70660969
2-[3-(3-cyclopentyloxyphenyl)propanoyl-ethylamino]acetic acid
CID 119206123
1-(7-cyclononyloxycyclodeca-1,3,5,7,9-pentaen-1-yl)ethanone
CID 91060627
cyclooctyl-(3-cyclopropyloxyphenyl)methanone
CID 114521228
1-(3-cyclopropyloxyphenyl)propan-1-one
CID 114521082
2-[(4-cyclopentyloxyphenyl)methyl-methylamino]acetic acid
CID 98017404
3-cyclopentyloxy-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzamide
CID 122141053
N-(3-amino-2-methylpropyl)-3-cyclopentyloxybenzamide
CID 119995738
3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 42383715

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopentyloxybenzoyl)-methylamino]acetic acid?
The IUPAC name of 2-[(3-cyclopentyloxybenzoyl)-methylamino]acetic acid (CID 119171827) is 2-[(3-cyclopentyloxybenzoyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(3-cyclopentyloxybenzoyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(3-cyclopentyloxybenzoyl)-methylamino]acetic acid is CN(CC(=O)O)C(=O)c1cccc(OC2CCCC2)c1.
What is the InChIKey of 2-[(3-cyclopentyloxybenzoyl)-methylamino]acetic acid?
The InChIKey is QOKQLYIOJPREMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-16(10-14(17)18)15(19)11-5-4-8-13(9-11)20-12-6-2-3-7-12/h4-5,8-9,12H,2-3,6-7,10H2,1H3,(H,17,18).
What are the key properties of 2-[(3-cyclopentyloxybenzoyl)-methylamino]acetic acid?
2-[(3-cyclopentyloxybenzoyl)-methylamino]acetic acid has a molecular weight of 277.32 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopentyloxybenzoyl)-methylamino]acetic acid is sourced from PubChem (CID 119171827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).