2-[cyclopentyl-[(3-propan-2-yloxyphenyl)methyl]amino]acetic acid

C17H25NO3 — CID 65058788

IUPAC2-[cyclopentyl-[(3-propan-2-yloxyphenyl)methyl]amino]acetic acid
SMILESCC(C)Oc1cccc(CN(CC(=O)O)C2CCCC2)c1
InChIInChI=1S/C17H25NO3/c1-13(2)21-16-9-5-6-14(10-16)11-18(12-17(19)20)15-7-3-4-8-15/h5-6,9-10,13,15H,3-4,7-8,11-12H2,1-2H3,(H,19,20)
InChIKeyNVCXFQZUMIESNG-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.30
Rot. Bonds7

About 2-[cyclopentyl-[(3-propan-2-yloxyphenyl)methyl]amino]acetic acid

2-[cyclopentyl-[(3-propan-2-yloxyphenyl)methyl]amino]acetic acid (PubChem CID 65058788) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[cyclopentyl-[(3-propan-2-yloxyphenyl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-[(3-propan-2-yloxyphenyl)methyl]amino]acetic acid
PubChem CID65058788
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name2-[cyclopentyl-[(3-propan-2-yloxyphenyl)methyl]amino]acetic acid
SMILESCC(C)Oc1cccc(CN(CC(=O)O)C2CCCC2)c1
InChIInChI=1S/C17H25NO3/c1-13(2)21-16-9-5-6-14(10-16)11-18(12-17(19)20)15-7-3-4-8-15/h5-6,9-10,13,15H,3-4,7-8,11-12H2,1-2H3,(H,19,20)
InChIKeyNVCXFQZUMIESNG-UHFFFAOYSA-N
XLogP3.30
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl-[2-(3-propan-2-yloxyphenyl)acetyl]amino]acetic acid
CID 119194970
2-[cyclopentyl-[(3-nitrophenyl)methyl]amino]acetic acid
CID 60833489
2-[(3-propan-2-yloxyphenyl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79264180
2-[cyclopentyl-[(3,4-dimethoxyphenyl)methyl]amino]acetic acid
CID 39401965
2-[cycloheptyl(pyridin-3-ylmethyl)amino]acetic acid
CID 46993000
2-[cyclohexyl-[(4-methylphenyl)methyl]amino]acetic acid
CID 39361490
2-[propan-2-yl-[2-(3-propan-2-yloxyphenyl)acetyl]amino]acetic acid
CID 119198334
2-[(4-chloro-3-fluorophenyl)methyl-cyclopentylamino]acetic acid
CID 65058356
2-[cyclopentyl-[(4-cyclopropylphenyl)methyl]amino]acetic acid
CID 79976968
2-methyl-3-[methyl-[(3-propan-2-yloxyphenyl)methyl]amino]-3-oxopropanoic acid
CID 122066518
2-[cyclopentyl-[(2,3-dimethylphenyl)methyl]amino]acetic acid
CID 65058304
N-[(4-methoxyphenyl)methyl]-1,1-dioxo-N-[(3-propan-2-yloxyphenyl)methyl]thiolan-3-amine
CID 55831232

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[(3-propan-2-yloxyphenyl)methyl]amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-[(3-propan-2-yloxyphenyl)methyl]amino]acetic acid (CID 65058788) is 2-[cyclopentyl-[(3-propan-2-yloxyphenyl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-[(3-propan-2-yloxyphenyl)methyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-[(3-propan-2-yloxyphenyl)methyl]amino]acetic acid is CC(C)Oc1cccc(CN(CC(=O)O)C2CCCC2)c1.
What is the InChIKey of 2-[cyclopentyl-[(3-propan-2-yloxyphenyl)methyl]amino]acetic acid?
The InChIKey is NVCXFQZUMIESNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-13(2)21-16-9-5-6-14(10-16)11-18(12-17(19)20)15-7-3-4-8-15/h5-6,9-10,13,15H,3-4,7-8,11-12H2,1-2H3,(H,19,20).
What are the key properties of 2-[cyclopentyl-[(3-propan-2-yloxyphenyl)methyl]amino]acetic acid?
2-[cyclopentyl-[(3-propan-2-yloxyphenyl)methyl]amino]acetic acid has a molecular weight of 291.39 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[(3-propan-2-yloxyphenyl)methyl]amino]acetic acid is sourced from PubChem (CID 65058788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).