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

C16H23NO2 — CID 65058304

IUPAC2-[cyclopentyl-[(2,3-dimethylphenyl)methyl]amino]acetic acid
SMILESCc1cccc(CN(CC(=O)O)C2CCCC2)c1C
InChIInChI=1S/C16H23NO2/c1-12-6-5-7-14(13(12)2)10-17(11-16(18)19)15-8-3-4-9-15/h5-7,15H,3-4,8-11H2,1-2H3,(H,18,19)
InChIKeyORVNSKSSLJGTBV-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.13
Rot. Bonds5

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

2-[cyclopentyl-[(2,3-dimethylphenyl)methyl]amino]acetic acid (PubChem CID 65058304) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[cyclopentyl-[(2,3-dimethylphenyl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-[(2,3-dimethylphenyl)methyl]amino]acetic acid
PubChem CID65058304
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-[cyclopentyl-[(2,3-dimethylphenyl)methyl]amino]acetic acid
SMILESCc1cccc(CN(CC(=O)O)C2CCCC2)c1C
InChIInChI=1S/C16H23NO2/c1-12-6-5-7-14(13(12)2)10-17(11-16(18)19)15-8-3-4-9-15/h5-7,15H,3-4,8-11H2,1-2H3,(H,18,19)
InChIKeyORVNSKSSLJGTBV-UHFFFAOYSA-N
XLogP3.13
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclohexyl-[(4-methylphenyl)methyl]amino]acetic acid
CID 39361490
2-[cyclopentyl-[2-(2-methylphenyl)acetyl]amino]acetic acid
CID 60827106
2-[cyclopentyl-[(2-methylpyrimidin-4-yl)methyl]amino]acetic acid
CID 115529556
2-[cyclopropylmethyl-[3-[(2,3-dimethylphenyl)methylamino]cyclobutyl]amino]acetic acid
CID 122041681
2-[cyclopentyl-[(1-methylindol-3-yl)methyl]amino]acetic acid
CID 65058560
(3S)-N-(cyclopentylmethyl)-N-[(2,3-dimethylphenyl)methyl]pyrrolidin-3-amine
CID 11346709
2-[cyclopropyl-[(3-ethoxy-2-hydroxyphenyl)methyl]amino]acetic acid
CID 65057874
2-[cyclopentyl-[(3-propan-2-yloxyphenyl)methyl]amino]acetic acid
CID 65058788
2-[cyclopentyl-[(4-cyclopropylphenyl)methyl]amino]acetic acid
CID 79976968
2-[cyclopentyl-[(3-nitrophenyl)methyl]amino]acetic acid
CID 60833489
2-[cyclopentyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid
CID 60833811
2-[cyclopentyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetic acid
CID 63019783

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[(2,3-dimethylphenyl)methyl]amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-[(2,3-dimethylphenyl)methyl]amino]acetic acid (CID 65058304) is 2-[cyclopentyl-[(2,3-dimethylphenyl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-[(2,3-dimethylphenyl)methyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-[(2,3-dimethylphenyl)methyl]amino]acetic acid is Cc1cccc(CN(CC(=O)O)C2CCCC2)c1C.
What is the InChIKey of 2-[cyclopentyl-[(2,3-dimethylphenyl)methyl]amino]acetic acid?
The InChIKey is ORVNSKSSLJGTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12-6-5-7-14(13(12)2)10-17(11-16(18)19)15-8-3-4-9-15/h5-7,15H,3-4,8-11H2,1-2H3,(H,18,19).
What are the key properties of 2-[cyclopentyl-[(2,3-dimethylphenyl)methyl]amino]acetic acid?
2-[cyclopentyl-[(2,3-dimethylphenyl)methyl]amino]acetic acid has a molecular weight of 261.37 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[(2,3-dimethylphenyl)methyl]amino]acetic acid is sourced from PubChem (CID 65058304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).