2-[(2-amino-2-cyclopropylpropanoyl)-methylamino]benzoic acid

C14H18N2O3 — CID 61158423

IUPAC2-[(2-amino-2-cyclopropylpropanoyl)-methylamino]benzoic acid
SMILESCN(C(=O)C(C)(N)C1CC1)c1ccccc1C(=O)O
InChIInChI=1S/C14H18N2O3/c1-14(15,9-7-8-9)13(19)16(2)11-6-4-3-5-10(11)12(17)18/h3-6,9H,7-8,15H2,1-2H3,(H,17,18)
InChIKeyCHGSVASWIYCXFV-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.48
Rot. Bonds4

About 2-[(2-amino-2-cyclopropylpropanoyl)-methylamino]benzoic acid

2-[(2-amino-2-cyclopropylpropanoyl)-methylamino]benzoic acid (PubChem CID 61158423) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[(2-amino-2-cyclopropylpropanoyl)-methylamino]benzoic acid.

Molecular Properties

Compound Name2-[(2-amino-2-cyclopropylpropanoyl)-methylamino]benzoic acid
PubChem CID61158423
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-[(2-amino-2-cyclopropylpropanoyl)-methylamino]benzoic acid
SMILESCN(C(=O)C(C)(N)C1CC1)c1ccccc1C(=O)O
InChIInChI=1S/C14H18N2O3/c1-14(15,9-7-8-9)13(19)16(2)11-6-4-3-5-10(11)12(17)18/h3-6,9H,7-8,15H2,1-2H3,(H,17,18)
InChIKeyCHGSVASWIYCXFV-UHFFFAOYSA-N
XLogP1.48
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2,2-dimethylbutanoyl(methyl)amino]benzoic acid
CID 55102859
2-[(3-amino-3-methylbutanoyl)-methylamino]benzoic acid
CID 64677769
2-[carboxy(methyl)amino]benzoic acid
CID 54515351
2-[methyl-[(1-methylpiperidin-4-yl)carbamoyl]amino]benzoic acid
CID 61198603
2-[(2-aminobenzoyl)-methylamino]benzoic acid
CID 12819851
2-[cyclopentylmethyl(methyl)amino]benzoic acid
CID 63632821
2-[methyl(2-methylpropanoyl)amino]benzoic acid
CID 16770720
2-[3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl(methyl)amino]benzoic acid
CID 115560837
2-[[cyclopropyl(propyl)carbamoyl]-methylamino]benzoic acid
CID 61196584
2-[cyclohexylmethyl(methyl)amino]benzoic acid
CID 61446190
2-[(2,2-difluoroacetyl)-methylamino]benzoic acid
CID 103513102
2-[methyl(1,3-thiazolidine-4-carbonyl)amino]benzoic acid
CID 61159518

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-cyclopropylpropanoyl)-methylamino]benzoic acid?
The IUPAC name of 2-[(2-amino-2-cyclopropylpropanoyl)-methylamino]benzoic acid (CID 61158423) is 2-[(2-amino-2-cyclopropylpropanoyl)-methylamino]benzoic acid.
What is the SMILES notation for 2-[(2-amino-2-cyclopropylpropanoyl)-methylamino]benzoic acid?
The canonical SMILES for 2-[(2-amino-2-cyclopropylpropanoyl)-methylamino]benzoic acid is CN(C(=O)C(C)(N)C1CC1)c1ccccc1C(=O)O.
What is the InChIKey of 2-[(2-amino-2-cyclopropylpropanoyl)-methylamino]benzoic acid?
The InChIKey is CHGSVASWIYCXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-14(15,9-7-8-9)13(19)16(2)11-6-4-3-5-10(11)12(17)18/h3-6,9H,7-8,15H2,1-2H3,(H,17,18).
What are the key properties of 2-[(2-amino-2-cyclopropylpropanoyl)-methylamino]benzoic acid?
2-[(2-amino-2-cyclopropylpropanoyl)-methylamino]benzoic acid has a molecular weight of 262.31 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-cyclopropylpropanoyl)-methylamino]benzoic acid is sourced from PubChem (CID 61158423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).