1-[[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid

C15H18N2O3 — CID 115913873

IUPAC1-[[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESNc1ccc(C2(C(=O)NCC3(C(=O)O)CC3)CC2)cc1
InChIInChI=1S/C15H18N2O3/c16-11-3-1-10(2-4-11)15(7-8-15)12(18)17-9-14(5-6-14)13(19)20/h1-4H,5-9,16H2,(H,17,18)(H,19,20)
InChIKeyGPTVYVJJPKRVRQ-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.28
Rot. Bonds5

About 1-[[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid

1-[[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115913873) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-[[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115913873
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-[[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESNc1ccc(C2(C(=O)NCC3(C(=O)O)CC3)CC2)cc1
InChIInChI=1S/C15H18N2O3/c16-11-3-1-10(2-4-11)15(7-8-15)12(18)17-9-14(5-6-14)13(19)20/h1-4H,5-9,16H2,(H,17,18)(H,19,20)
InChIKeyGPTVYVJJPKRVRQ-UHFFFAOYSA-N
XLogP1.28
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 81369485
1-[[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 81369835
1-(4-aminophenyl)-N-phenylcyclopropane-1-carboxamide
CID 99613024
1-(4-aminophenyl)cyclopropane-1-carboxylic acid;hydrochloride
CID 155970614
3-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 115913793
1-(4-aminophenyl)-N-[3-(methylamino)-3-oxopropyl]cyclopropane-1-carboxamide
CID 112558336
1-(4-aminophenyl)-N-hexylcyclopropane-1-carboxamide
CID 112558265
1-[[(4-phenyloxane-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544882
3-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-2-methoxypropanoic acid
CID 106108848
1-[[[1-(3-methylphenyl)cyclobutanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115449997
1-(4-aminophenyl)-N-[(3-methylthiophen-2-yl)methyl]cyclopropane-1-carboxamide
CID 115913836
1-(4-aminophenyl)-N-[3-(dimethylamino)propyl]cyclopropane-1-carboxamide
CID 112558134

Frequently Asked Questions

What is the IUPAC name of 1-[[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid (CID 115913873) is 1-[[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid is Nc1ccc(C2(C(=O)NCC3(C(=O)O)CC3)CC2)cc1.
What is the InChIKey of 1-[[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is GPTVYVJJPKRVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c16-11-3-1-10(2-4-11)15(7-8-15)12(18)17-9-14(5-6-14)13(19)20/h1-4H,5-9,16H2,(H,17,18)(H,19,20).
What are the key properties of 1-[[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid?
1-[[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 1.28, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115913873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).