2-[2-(1-cyclopropylethoxycarbonyl)anilino]acetic acid

C14H17NO4 — CID 23345959

IUPAC2-[2-(1-cyclopropylethoxycarbonyl)anilino]acetic acid
SMILESCC(OC(=O)c1ccccc1NCC(=O)O)C1CC1
InChIInChI=1S/C14H17NO4/c1-9(10-6-7-10)19-14(18)11-4-2-3-5-12(11)15-8-13(16)17/h2-5,9-10,15H,6-8H2,1H3,(H,16,17)
InChIKeyPQHILUOMOLQADM-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.14
Rot. Bonds6

About 2-[2-(1-cyclopropylethoxycarbonyl)anilino]acetic acid

2-[2-(1-cyclopropylethoxycarbonyl)anilino]acetic acid (PubChem CID 23345959) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-[2-(1-cyclopropylethoxycarbonyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[2-(1-cyclopropylethoxycarbonyl)anilino]acetic acid
PubChem CID23345959
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name2-[2-(1-cyclopropylethoxycarbonyl)anilino]acetic acid
SMILESCC(OC(=O)c1ccccc1NCC(=O)O)C1CC1
InChIInChI=1S/C14H17NO4/c1-9(10-6-7-10)19-14(18)11-4-2-3-5-12(11)15-8-13(16)17/h2-5,9-10,15H,6-8H2,1H3,(H,16,17)
InChIKeyPQHILUOMOLQADM-UHFFFAOYSA-N
XLogP2.14
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-(1-cyclopropylethoxycarbonyl)anilino]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-(2-acetylanilino)acetic acid;methanamine
CID 69423543
2-[2-(cyclopropylmethylamino)benzoyl]oxybutanedioic acid
CID 57107119
2-[(1R)-1-(4-propylcyclohexyl)ethoxy]carbonylbenzoic acid
CID 51428920
2-[(1S)-1-(4-butylcyclohexyl)ethoxy]carbonylbenzoic acid
CID 7311848
3-(2-methoxycarbonylanilino)propanoic acid
CID 15046919
2-[2-[[(2S)-1-(2,6-dimethylphenoxy)propan-2-yl]carbamoyl]anilino]acetic acid
CID 95122811
2-[2-[(E)-4-oxopent-2-en-2-yl]anilino]acetic acid
CID 70550819
methyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]benzoate
CID 47122957
2-[[2-(2-carbamoylanilino)acetyl]-cyclopropylamino]propanoic acid
CID 122067482
methyl 2-(cyclopentylmethylamino)benzoate
CID 55030315
1-hydroxypropyl 2-(ethylamino)benzoate
CID 174360689
2-[2-(pyrrolidine-1-carbonyl)anilino]acetic acid
CID 50969463

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-cyclopropylethoxycarbonyl)anilino]acetic acid?
The IUPAC name of 2-[2-(1-cyclopropylethoxycarbonyl)anilino]acetic acid (CID 23345959) is 2-[2-(1-cyclopropylethoxycarbonyl)anilino]acetic acid.
What is the SMILES notation for 2-[2-(1-cyclopropylethoxycarbonyl)anilino]acetic acid?
The canonical SMILES for 2-[2-(1-cyclopropylethoxycarbonyl)anilino]acetic acid is CC(OC(=O)c1ccccc1NCC(=O)O)C1CC1.
What is the InChIKey of 2-[2-(1-cyclopropylethoxycarbonyl)anilino]acetic acid?
The InChIKey is PQHILUOMOLQADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-9(10-6-7-10)19-14(18)11-4-2-3-5-12(11)15-8-13(16)17/h2-5,9-10,15H,6-8H2,1H3,(H,16,17).
What are the key properties of 2-[2-(1-cyclopropylethoxycarbonyl)anilino]acetic acid?
2-[2-(1-cyclopropylethoxycarbonyl)anilino]acetic acid has a molecular weight of 263.29 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-cyclopropylethoxycarbonyl)anilino]acetic acid is sourced from PubChem (CID 23345959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).