2-[4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]phenyl]-2-methylpropanoic acid

C15H20N2O3 — CID 115453529

IUPAC2-[4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]phenyl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1ccc(NC(=O)C2(CN)CC2)cc1
InChIInChI=1S/C15H20N2O3/c1-14(2,13(19)20)10-3-5-11(6-4-10)17-12(18)15(9-16)7-8-15/h3-6H,7-9,16H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyLWQZRRUKTQTFBA-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.73
Rot. Bonds5

About 2-[4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]phenyl]-2-methylpropanoic acid

2-[4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]phenyl]-2-methylpropanoic acid (PubChem CID 115453529) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]phenyl]-2-methylpropanoic acid
PubChem CID115453529
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]phenyl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1ccc(NC(=O)C2(CN)CC2)cc1
InChIInChI=1S/C15H20N2O3/c1-14(2,13(19)20)10-3-5-11(6-4-10)17-12(18)15(9-16)7-8-15/h3-6H,7-9,16H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyLWQZRRUKTQTFBA-UHFFFAOYSA-N
XLogP1.73
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide
CID 115452592
(E)-3-[4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]phenyl]prop-2-enoic acid
CID 115453602
4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-N-tert-butylbenzamide
CID 119703087
2-methyl-2-[4-[(3-methylpyrrolidine-3-carbonyl)amino]phenyl]propanoic acid
CID 80549555
1-(aminomethyl)-N-[4-(2-methylpropyl)phenyl]cyclopropane-1-carboxamide
CID 115182510
1-(aminomethyl)-N-[4-(2-methoxyethoxy)phenyl]cyclopropane-1-carboxamide
CID 115452621
4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-N,N-dimethylbenzamide
CID 115447532
1-(aminomethyl)-N-(5-tert-butyl-2-methylphenyl)cyclopropane-1-carboxamide
CID 115182511
1-(aminomethyl)-N-[4-(carbamoylamino)phenyl]cyclohexane-1-carboxamide
CID 115437417
1-(aminomethyl)-N-(4-hydroxyphenyl)cyclohexane-1-carboxamide
CID 115437412
1-(aminomethyl)-N-(4-bromophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670345
1-(aminomethyl)-N-(4-methylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119694256

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]phenyl]-2-methylpropanoic acid?
The IUPAC name of 2-[4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]phenyl]-2-methylpropanoic acid (CID 115453529) is 2-[4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]phenyl]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]phenyl]-2-methylpropanoic acid is CC(C)(C(=O)O)c1ccc(NC(=O)C2(CN)CC2)cc1.
What is the InChIKey of 2-[4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]phenyl]-2-methylpropanoic acid?
The InChIKey is LWQZRRUKTQTFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-14(2,13(19)20)10-3-5-11(6-4-10)17-12(18)15(9-16)7-8-15/h3-6H,7-9,16H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-[4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]phenyl]-2-methylpropanoic acid?
2-[4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]phenyl]-2-methylpropanoic acid has a molecular weight of 276.34 g/mol, XLogP of 1.73, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 115453529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).