2-[[1-(4-aminophenyl)cyclopropanecarbonyl]-methylamino]-2-methylpropanoic acid

C15H20N2O3 — CID 115913638

IUPAC2-[[1-(4-aminophenyl)cyclopropanecarbonyl]-methylamino]-2-methylpropanoic acid
SMILESCN(C(=O)C1(c2ccc(N)cc2)CC1)C(C)(C)C(=O)O
InChIInChI=1S/C15H20N2O3/c1-14(2,13(19)20)17(3)12(18)15(8-9-15)10-4-6-11(16)7-5-10/h4-7H,8-9,16H2,1-3H3,(H,19,20)
InChIKeyBORZSFZZDWVCBL-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.62
Rot. Bonds4

About 2-[[1-(4-aminophenyl)cyclopropanecarbonyl]-methylamino]-2-methylpropanoic acid

2-[[1-(4-aminophenyl)cyclopropanecarbonyl]-methylamino]-2-methylpropanoic acid (PubChem CID 115913638) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[[1-(4-aminophenyl)cyclopropanecarbonyl]-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[1-(4-aminophenyl)cyclopropanecarbonyl]-methylamino]-2-methylpropanoic acid
PubChem CID115913638
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[[1-(4-aminophenyl)cyclopropanecarbonyl]-methylamino]-2-methylpropanoic acid
SMILESCN(C(=O)C1(c2ccc(N)cc2)CC1)C(C)(C)C(=O)O
InChIInChI=1S/C15H20N2O3/c1-14(2,13(19)20)17(3)12(18)15(8-9-15)10-4-6-11(16)7-5-10/h4-7H,8-9,16H2,1-3H3,(H,19,20)
InChIKeyBORZSFZZDWVCBL-UHFFFAOYSA-N
XLogP1.62
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-[methyl-[1-(3-methylphenyl)cyclobutanecarbonyl]amino]propanoic acid
CID 62818648
3-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 115913793
1-(4-aminophenyl)cyclopropane-1-carboxylic acid;hydrochloride
CID 155970614
1-(4-aminophenyl)-N-cyclohexyl-N-methylcyclopropane-1-carboxamide
CID 115913184
1-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)cyclopropane-1-carboxamide
CID 112558286
1-(4-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylcyclopropane-1-carboxamide
CID 115913375
1-(4-aminophenyl)-N-(2-ethoxyethyl)-N-methylcyclopropane-1-carboxamide
CID 112558421
2-[[1-(4-aminophenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid
CID 115913657
N-methyl-1-phenylcyclopropane-1-carbohydrazide
CID 116846008
1-(4-aminophenyl)-N-methyl-N-(3-methylcyclohexyl)cyclopropane-1-carboxamide
CID 115913557
1-(4-aminophenyl)-N-cyclohexyl-N-ethylcyclopropane-1-carboxamide
CID 115913190
1-(4-aminophenyl)-N,N-bis(prop-2-enyl)cyclopropane-1-carboxamide
CID 112558169

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-aminophenyl)cyclopropanecarbonyl]-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[[1-(4-aminophenyl)cyclopropanecarbonyl]-methylamino]-2-methylpropanoic acid (CID 115913638) is 2-[[1-(4-aminophenyl)cyclopropanecarbonyl]-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[1-(4-aminophenyl)cyclopropanecarbonyl]-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[1-(4-aminophenyl)cyclopropanecarbonyl]-methylamino]-2-methylpropanoic acid is CN(C(=O)C1(c2ccc(N)cc2)CC1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[[1-(4-aminophenyl)cyclopropanecarbonyl]-methylamino]-2-methylpropanoic acid?
The InChIKey is BORZSFZZDWVCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-14(2,13(19)20)17(3)12(18)15(8-9-15)10-4-6-11(16)7-5-10/h4-7H,8-9,16H2,1-3H3,(H,19,20).
What are the key properties of 2-[[1-(4-aminophenyl)cyclopropanecarbonyl]-methylamino]-2-methylpropanoic acid?
2-[[1-(4-aminophenyl)cyclopropanecarbonyl]-methylamino]-2-methylpropanoic acid has a molecular weight of 276.34 g/mol, XLogP of 1.62, 4 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]-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 115913638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).