2-[cyclopentyl-[(4-cyclopropylphenyl)methyl]amino]acetic acid

C17H23NO2 — CID 79976968

IUPAC2-[cyclopentyl-[(4-cyclopropylphenyl)methyl]amino]acetic acid
SMILESO=C(O)CN(Cc1ccc(C2CC2)cc1)C1CCCC1
InChIInChI=1S/C17H23NO2/c19-17(20)12-18(16-3-1-2-4-16)11-13-5-7-14(8-6-13)15-9-10-15/h5-8,15-16H,1-4,9-12H2,(H,19,20)
InChIKeyXTMZGAWEPQYOBQ-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.39
Rot. Bonds6

About 2-[cyclopentyl-[(4-cyclopropylphenyl)methyl]amino]acetic acid

2-[cyclopentyl-[(4-cyclopropylphenyl)methyl]amino]acetic acid (PubChem CID 79976968) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[cyclopentyl-[(4-cyclopropylphenyl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-[(4-cyclopropylphenyl)methyl]amino]acetic acid
PubChem CID79976968
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name2-[cyclopentyl-[(4-cyclopropylphenyl)methyl]amino]acetic acid
SMILESO=C(O)CN(Cc1ccc(C2CC2)cc1)C1CCCC1
InChIInChI=1S/C17H23NO2/c19-17(20)12-18(16-3-1-2-4-16)11-13-5-7-14(8-6-13)15-9-10-15/h5-8,15-16H,1-4,9-12H2,(H,19,20)
InChIKeyXTMZGAWEPQYOBQ-UHFFFAOYSA-N
XLogP3.39
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.39
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-[cyclopropyl-[(4-ethylphenyl)methyl]amino]acetic acid;hydrochloride
CID 170903356
2-[cyclopentyl-[(3,4-dimethoxyphenyl)methyl]amino]acetic acid
CID 39401965
2-[(4-chloro-3-fluorophenyl)methyl-cyclopentylamino]acetic acid
CID 65058356
2-[cyclopropyl(pyridin-4-ylmethyl)amino]acetic acid;dihydrochloride
CID 132891596
2-[cycloheptyl(pyridin-3-ylmethyl)amino]acetic acid
CID 46993000
2-[cyclopentyl-[(4-hydroxyphenyl)methyl]amino]acetamide
CID 82973746
2-[(5-chlorothiophen-2-yl)methyl-cyclopentylamino]acetic acid
CID 60834283
2-[cyclopropyl-[[4-(trifluoromethylsulfanyl)phenyl]methyl]amino]acetic acid
CID 65057479
2-[cyclopentyl-[(3-nitrophenyl)methyl]amino]acetic acid
CID 60833489
2-[cyclobutyl-[[2-fluoro-5-(hydroxymethyl)phenyl]methyl]amino]acetic acid
CID 138037839
2-[cyclopropyl(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)amino]acetic acid
CID 65058170

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[(4-cyclopropylphenyl)methyl]amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-[(4-cyclopropylphenyl)methyl]amino]acetic acid (CID 79976968) is 2-[cyclopentyl-[(4-cyclopropylphenyl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-[(4-cyclopropylphenyl)methyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-[(4-cyclopropylphenyl)methyl]amino]acetic acid is O=C(O)CN(Cc1ccc(C2CC2)cc1)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl-[(4-cyclopropylphenyl)methyl]amino]acetic acid?
The InChIKey is XTMZGAWEPQYOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c19-17(20)12-18(16-3-1-2-4-16)11-13-5-7-14(8-6-13)15-9-10-15/h5-8,15-16H,1-4,9-12H2,(H,19,20).
What are the key properties of 2-[cyclopentyl-[(4-cyclopropylphenyl)methyl]amino]acetic acid?
2-[cyclopentyl-[(4-cyclopropylphenyl)methyl]amino]acetic acid has a molecular weight of 273.38 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[(4-cyclopropylphenyl)methyl]amino]acetic acid is sourced from PubChem (CID 79976968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).