2-[[4-(2-amino-2-oxoethoxy)benzoyl]amino]-2-cyclopropylacetic acid

C14H16N2O5 — CID 62697830

IUPAC2-[[4-(2-amino-2-oxoethoxy)benzoyl]amino]-2-cyclopropylacetic acid
SMILESNC(=O)COc1ccc(C(=O)NC(C(=O)O)C2CC2)cc1
InChIInChI=1S/C14H16N2O5/c15-11(17)7-21-10-5-3-9(4-6-10)13(18)16-12(14(19)20)8-1-2-8/h3-6,8,12H,1-2,7H2,(H2,15,17)(H,16,18)(H,19,20)
InChIKeyYXQOWMRXIARZNH-UHFFFAOYSA-N
MW292.29 g/mol
LogP0.14
Rot. Bonds7

About 2-[[4-(2-amino-2-oxoethoxy)benzoyl]amino]-2-cyclopropylacetic acid

2-[[4-(2-amino-2-oxoethoxy)benzoyl]amino]-2-cyclopropylacetic acid (PubChem CID 62697830) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 2-[[4-(2-amino-2-oxoethoxy)benzoyl]amino]-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-[[4-(2-amino-2-oxoethoxy)benzoyl]amino]-2-cyclopropylacetic acid
PubChem CID62697830
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name2-[[4-(2-amino-2-oxoethoxy)benzoyl]amino]-2-cyclopropylacetic acid
SMILESNC(=O)COc1ccc(C(=O)NC(C(=O)O)C2CC2)cc1
InChIInChI=1S/C14H16N2O5/c15-11(17)7-21-10-5-3-9(4-6-10)13(18)16-12(14(19)20)8-1-2-8/h3-6,8,12H,1-2,7H2,(H2,15,17)(H,16,18)(H,19,20)
InChIKeyYXQOWMRXIARZNH-UHFFFAOYSA-N
XLogP0.14
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[4-(2-amino-2-oxoethoxy)benzoyl]amino]-2-cyclopropylacetic 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-[(4-butoxybenzoyl)amino]-2-cyclopropylacetic acid
CID 62695518
(2S)-2-benzamido-2-cyclopropylacetic acid
CID 94553117
2-cyclopropyl-2-[(4-methylbenzoyl)amino]acetic acid
CID 55108281
4-(2-amino-2-oxoethoxy)-N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 104981373
2-cyclopropyl-2-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]acetic acid
CID 119213473
4-(2-amino-2-oxoethoxy)-N-phenylbenzamide
CID 27166758
2-cyclopropyl-2-[(3-ethoxy-4-methoxybenzoyl)amino]acetic acid
CID 62696695
2-cyclopropyl-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]acetic acid
CID 62695176
2-[(4-butoxybenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120547412
2-[[4-(2-methylpropoxy)benzoyl]amino]-2-(oxan-3-yl)acetic acid
CID 120549072
4-(2-amino-2-oxoethoxy)-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 103750889
2-cyclopropyl-2-[[2-(2-phenoxyethoxy)acetyl]amino]acetic acid
CID 119213147

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-amino-2-oxoethoxy)benzoyl]amino]-2-cyclopropylacetic acid?
The IUPAC name of 2-[[4-(2-amino-2-oxoethoxy)benzoyl]amino]-2-cyclopropylacetic acid (CID 62697830) is 2-[[4-(2-amino-2-oxoethoxy)benzoyl]amino]-2-cyclopropylacetic acid.
What is the SMILES notation for 2-[[4-(2-amino-2-oxoethoxy)benzoyl]amino]-2-cyclopropylacetic acid?
The canonical SMILES for 2-[[4-(2-amino-2-oxoethoxy)benzoyl]amino]-2-cyclopropylacetic acid is NC(=O)COc1ccc(C(=O)NC(C(=O)O)C2CC2)cc1.
What is the InChIKey of 2-[[4-(2-amino-2-oxoethoxy)benzoyl]amino]-2-cyclopropylacetic acid?
The InChIKey is YXQOWMRXIARZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c15-11(17)7-21-10-5-3-9(4-6-10)13(18)16-12(14(19)20)8-1-2-8/h3-6,8,12H,1-2,7H2,(H2,15,17)(H,16,18)(H,19,20).
What are the key properties of 2-[[4-(2-amino-2-oxoethoxy)benzoyl]amino]-2-cyclopropylacetic acid?
2-[[4-(2-amino-2-oxoethoxy)benzoyl]amino]-2-cyclopropylacetic acid has a molecular weight of 292.29 g/mol, XLogP of 0.14, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-amino-2-oxoethoxy)benzoyl]amino]-2-cyclopropylacetic acid is sourced from PubChem (CID 62697830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).