2-[[1-(4-aminophenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid

C16H22N2O3 — CID 115913657

IUPAC2-[[1-(4-aminophenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)C1(c2ccc(N)cc2)CC1
InChIInChI=1S/C16H22N2O3/c1-11(2)9-18(10-14(19)20)15(21)16(7-8-16)12-3-5-13(17)6-4-12/h3-6,11H,7-10,17H2,1-2H3,(H,19,20)
InChIKeyIVVUGHARXMKSNG-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.87
Rot. Bonds6

About 2-[[1-(4-aminophenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid

2-[[1-(4-aminophenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid (PubChem CID 115913657) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[[1-(4-aminophenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[1-(4-aminophenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid
PubChem CID115913657
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[[1-(4-aminophenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)C1(c2ccc(N)cc2)CC1
InChIInChI=1S/C16H22N2O3/c1-11(2)9-18(10-14(19)20)15(21)16(7-8-16)12-3-5-13(17)6-4-12/h3-6,11H,7-10,17H2,1-2H3,(H,19,20)
InChIKeyIVVUGHARXMKSNG-UHFFFAOYSA-N
XLogP1.87
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[[1-(4-aminophenyl)cyclopropanecarbonyl]-(2-methylpropyl)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

1-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)cyclopropane-1-carboxamide
CID 112558286
2-[[2-(4-aminophenyl)acetyl]-(2-methylpropyl)amino]acetic acid
CID 63066283
1-(4-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylcyclopropane-1-carboxamide
CID 115913375
2-[ethyl-(1-phenylcyclopropanecarbonyl)amino]acetic acid
CID 54900888
1-(4-aminophenyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclopropane-1-carboxamide
CID 107479302
1-(4-aminophenyl)-N,N-bis(prop-2-enyl)cyclopropane-1-carboxamide
CID 112558169
1-(4-aminophenyl)-N-ethyl-N-prop-2-ynylcyclopropane-1-carboxamide
CID 112558429
1-(4-aminophenyl)-N,N-bis(2-cyanoethyl)cyclopropane-1-carboxamide
CID 115913473
2-[(1-phenylcyclopropanecarbonyl)-propan-2-ylamino]acetic acid
CID 60831044
2-[(2-amino-1-methylcyclopentanecarbonyl)-(2-methylpropyl)amino]acetic acid
CID 82768526
2-[[1-(4-aminophenyl)cyclopropanecarbonyl]-methylamino]-2-methylpropanoic acid
CID 115913638
1-[1-(4-aminophenyl)cyclopropyl]-3,5-dimethylhexan-1-one
CID 114201621

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-aminophenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[[1-(4-aminophenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid (CID 115913657) is 2-[[1-(4-aminophenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[[1-(4-aminophenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[[1-(4-aminophenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)C1(c2ccc(N)cc2)CC1.
What is the InChIKey of 2-[[1-(4-aminophenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid?
The InChIKey is IVVUGHARXMKSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11(2)9-18(10-14(19)20)15(21)16(7-8-16)12-3-5-13(17)6-4-12/h3-6,11H,7-10,17H2,1-2H3,(H,19,20).
What are the key properties of 2-[[1-(4-aminophenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid?
2-[[1-(4-aminophenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid has a molecular weight of 290.36 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-aminophenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 115913657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).