2-[cyclopentyl-[(3,4-dimethoxyphenyl)methyl]amino]acetic acid

C16H23NO4 — CID 39401965

IUPAC2-[cyclopentyl-[(3,4-dimethoxyphenyl)methyl]amino]acetic acid
SMILESCOc1ccc(CN(CC(=O)O)C2CCCC2)cc1OC
InChIInChI=1S/C16H23NO4/c1-20-14-8-7-12(9-15(14)21-2)10-17(11-16(18)19)13-5-3-4-6-13/h7-9,13H,3-6,10-11H2,1-2H3,(H,18,19)
InChIKeyZGPOGSDRPONCMG-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.53
Rot. Bonds7

About 2-[cyclopentyl-[(3,4-dimethoxyphenyl)methyl]amino]acetic acid

2-[cyclopentyl-[(3,4-dimethoxyphenyl)methyl]amino]acetic acid (PubChem CID 39401965) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-[cyclopentyl-[(3,4-dimethoxyphenyl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-[(3,4-dimethoxyphenyl)methyl]amino]acetic acid
PubChem CID39401965
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-[cyclopentyl-[(3,4-dimethoxyphenyl)methyl]amino]acetic acid
SMILESCOc1ccc(CN(CC(=O)O)C2CCCC2)cc1OC
InChIInChI=1S/C16H23NO4/c1-20-14-8-7-12(9-15(14)21-2)10-17(11-16(18)19)13-5-3-4-6-13/h7-9,13H,3-6,10-11H2,1-2H3,(H,18,19)
InChIKeyZGPOGSDRPONCMG-UHFFFAOYSA-N
XLogP2.53
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-cyano-4-methoxyphenyl)methyl-cyclopropylamino]acetic acid
CID 65340637
2-[cyclohexyl-[(4-methylphenyl)methyl]amino]acetic acid
CID 39361490
2-[(4-chloro-3-fluorophenyl)methyl-cyclopentylamino]acetic acid
CID 65058356
2-[cyclopentyl-[(4-cyclopropylphenyl)methyl]amino]acetic acid
CID 79976968
2-[cyclopentyl-[(3-propan-2-yloxyphenyl)methyl]amino]acetic acid
CID 65058788
2-[(3-bromo-4-methoxyphenyl)methyl-cyclopentylamino]-N'-hydroxyethanimidamide
CID 77044469
5-[[cyclopentyl(ethyl)amino]methyl]-2-methoxybenzenecarbothioamide
CID 65339590
2-[cyclopentyl-[(3-nitrophenyl)methyl]amino]acetic acid
CID 60833489
2-[cyclopropyl-[(2,4-dimethoxyphenyl)methyl]amino]acetic acid
CID 39364524
2-[[3-[(3,4-dimethoxyphenyl)methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122042559
2-amino-N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-benzylamino]-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]amino]-2-oxoethyl]-benzylamino]-2-oxoethyl]-N-cyclopentylacetamide
CID 176631104
2-[cyclobutyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]acetic acid
CID 146135252

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[(3,4-dimethoxyphenyl)methyl]amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-[(3,4-dimethoxyphenyl)methyl]amino]acetic acid (CID 39401965) is 2-[cyclopentyl-[(3,4-dimethoxyphenyl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-[(3,4-dimethoxyphenyl)methyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-[(3,4-dimethoxyphenyl)methyl]amino]acetic acid is COc1ccc(CN(CC(=O)O)C2CCCC2)cc1OC.
What is the InChIKey of 2-[cyclopentyl-[(3,4-dimethoxyphenyl)methyl]amino]acetic acid?
The InChIKey is ZGPOGSDRPONCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-20-14-8-7-12(9-15(14)21-2)10-17(11-16(18)19)13-5-3-4-6-13/h7-9,13H,3-6,10-11H2,1-2H3,(H,18,19).
What are the key properties of 2-[cyclopentyl-[(3,4-dimethoxyphenyl)methyl]amino]acetic acid?
2-[cyclopentyl-[(3,4-dimethoxyphenyl)methyl]amino]acetic acid has a molecular weight of 293.36 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[(3,4-dimethoxyphenyl)methyl]amino]acetic acid is sourced from PubChem (CID 39401965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).