2-[cyclopropyl-[2-(3-propan-2-yloxyphenyl)acetyl]amino]acetic acid

C16H21NO4 — CID 119194970

IUPAC2-[cyclopropyl-[2-(3-propan-2-yloxyphenyl)acetyl]amino]acetic acid
SMILESCC(C)Oc1cccc(CC(=O)N(CC(=O)O)C2CC2)c1
InChIInChI=1S/C16H21NO4/c1-11(2)21-14-5-3-4-12(8-14)9-15(18)17(10-16(19)20)13-6-7-13/h3-5,8,11,13H,6-7,9-10H2,1-2H3,(H,19,20)
InChIKeyMWHIMKPUEFMKKD-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.09
Rot. Bonds7

About 2-[cyclopropyl-[2-(3-propan-2-yloxyphenyl)acetyl]amino]acetic acid

2-[cyclopropyl-[2-(3-propan-2-yloxyphenyl)acetyl]amino]acetic acid (PubChem CID 119194970) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-(3-propan-2-yloxyphenyl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-(3-propan-2-yloxyphenyl)acetyl]amino]acetic acid
PubChem CID119194970
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name2-[cyclopropyl-[2-(3-propan-2-yloxyphenyl)acetyl]amino]acetic acid
SMILESCC(C)Oc1cccc(CC(=O)N(CC(=O)O)C2CC2)c1
InChIInChI=1S/C16H21NO4/c1-11(2)21-14-5-3-4-12(8-14)9-15(18)17(10-16(19)20)13-6-7-13/h3-5,8,11,13H,6-7,9-10H2,1-2H3,(H,19,20)
InChIKeyMWHIMKPUEFMKKD-UHFFFAOYSA-N
XLogP2.09
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[cyclopropyl-[2-(3-propan-2-yloxyphenyl)acetyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[propan-2-yl-[2-(3-propan-2-yloxyphenyl)acetyl]amino]acetic acid
CID 119198334
2-[cyclopentyl-[(3-propan-2-yloxyphenyl)methyl]amino]acetic acid
CID 65058788
2-[cyclopropyl-[3-(3-methoxyphenyl)propanoyl]amino]acetic acid
CID 60826259
2-[cyclopentyl-(2-phenylacetyl)amino]acetic acid
CID 54926378
2-(3-propan-2-yloxyphenyl)acetyl chloride
CID 18333440
4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 119229628
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-propan-2-yloxyphenyl)ethanone
CID 119517535
2-[methyl-[2-(4-propan-2-yloxyphenyl)acetyl]amino]acetic acid
CID 98017762
(2R)-2-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]propanoic acid
CID 119244137
2-[cyclobutyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]acetic acid
CID 146135252
(3S)-1-[2-(3-propan-2-yloxyphenyl)acetyl]piperidine-3-carboxylic acid
CID 119173861
2-[cyclopropyl-[2-(3-methoxyphenyl)ethylcarbamoyl]amino]acetic acid
CID 103996280

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-(3-propan-2-yloxyphenyl)acetyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[2-(3-propan-2-yloxyphenyl)acetyl]amino]acetic acid (CID 119194970) is 2-[cyclopropyl-[2-(3-propan-2-yloxyphenyl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-(3-propan-2-yloxyphenyl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[2-(3-propan-2-yloxyphenyl)acetyl]amino]acetic acid is CC(C)Oc1cccc(CC(=O)N(CC(=O)O)C2CC2)c1.
What is the InChIKey of 2-[cyclopropyl-[2-(3-propan-2-yloxyphenyl)acetyl]amino]acetic acid?
The InChIKey is MWHIMKPUEFMKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-11(2)21-14-5-3-4-12(8-14)9-15(18)17(10-16(19)20)13-6-7-13/h3-5,8,11,13H,6-7,9-10H2,1-2H3,(H,19,20).
What are the key properties of 2-[cyclopropyl-[2-(3-propan-2-yloxyphenyl)acetyl]amino]acetic acid?
2-[cyclopropyl-[2-(3-propan-2-yloxyphenyl)acetyl]amino]acetic acid has a molecular weight of 291.35 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-(3-propan-2-yloxyphenyl)acetyl]amino]acetic acid is sourced from PubChem (CID 119194970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).