2-[[(4-cyanophenyl)-methylcarbamoyl]-cyclopropylamino]acetic acid

C14H15N3O3 — CID 62982894

IUPAC2-[[(4-cyanophenyl)-methylcarbamoyl]-cyclopropylamino]acetic acid
SMILESCN(C(=O)N(CC(=O)O)C1CC1)c1ccc(C#N)cc1
InChIInChI=1S/C14H15N3O3/c1-16(11-4-2-10(8-15)3-5-11)14(20)17(9-13(18)19)12-6-7-12/h2-5,12H,6-7,9H2,1H3,(H,18,19)
InChIKeyJBHPCAXIWKUZPD-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.66
Rot. Bonds4

About 2-[[(4-cyanophenyl)-methylcarbamoyl]-cyclopropylamino]acetic acid

2-[[(4-cyanophenyl)-methylcarbamoyl]-cyclopropylamino]acetic acid (PubChem CID 62982894) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-[[(4-cyanophenyl)-methylcarbamoyl]-cyclopropylamino]acetic acid.

Molecular Properties

Compound Name2-[[(4-cyanophenyl)-methylcarbamoyl]-cyclopropylamino]acetic acid
PubChem CID62982894
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2-[[(4-cyanophenyl)-methylcarbamoyl]-cyclopropylamino]acetic acid
SMILESCN(C(=O)N(CC(=O)O)C1CC1)c1ccc(C#N)cc1
InChIInChI=1S/C14H15N3O3/c1-16(11-4-2-10(8-15)3-5-11)14(20)17(9-13(18)19)12-6-7-12/h2-5,12H,6-7,9H2,1H3,(H,18,19)
InChIKeyJBHPCAXIWKUZPD-UHFFFAOYSA-N
XLogP1.66
TPSA84.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopentyl-[methyl(phenyl)carbamoyl]amino]acetic acid
CID 61186503
2-[[2-(4-cyanophenoxy)acetyl]-cyclopropylamino]acetic acid
CID 60825080
1-(4-cyanophenyl)-3,3-diethyl-1-methylurea
CID 79161464
2-[(3-cyanobenzoyl)-cyclopropylamino]acetic acid
CID 54946205
2-[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]-cyclopropylamino]acetic acid
CID 119195224
N-(4-cyanophenyl)-2-cyclopentyl-N-methylacetamide
CID 55141963
2-[2-(4-cyano-N-methylanilino)-2-oxoethoxy]acetic acid
CID 62983344
2-bromo-N-(4-cyanophenyl)-N-methylacetamide
CID 63679745
2-(2-bicyclo[2.2.1]heptanyl)-N-(4-cyanophenyl)-N-methylacetamide
CID 62982751
N-(4-cyanophenyl)-2-[cyclopropyl(methyl)amino]acetamide
CID 43243615
2-[(4-cyanophenyl)methylsulfonyl-cyclopropylamino]acetic acid
CID 60827545
2-(3-chloro-4-cyano-N-cyclopropylanilino)acetic acid
CID 62945659

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-cyanophenyl)-methylcarbamoyl]-cyclopropylamino]acetic acid?
The IUPAC name of 2-[[(4-cyanophenyl)-methylcarbamoyl]-cyclopropylamino]acetic acid (CID 62982894) is 2-[[(4-cyanophenyl)-methylcarbamoyl]-cyclopropylamino]acetic acid.
What is the SMILES notation for 2-[[(4-cyanophenyl)-methylcarbamoyl]-cyclopropylamino]acetic acid?
The canonical SMILES for 2-[[(4-cyanophenyl)-methylcarbamoyl]-cyclopropylamino]acetic acid is CN(C(=O)N(CC(=O)O)C1CC1)c1ccc(C#N)cc1.
What is the InChIKey of 2-[[(4-cyanophenyl)-methylcarbamoyl]-cyclopropylamino]acetic acid?
The InChIKey is JBHPCAXIWKUZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-16(11-4-2-10(8-15)3-5-11)14(20)17(9-13(18)19)12-6-7-12/h2-5,12H,6-7,9H2,1H3,(H,18,19).
What are the key properties of 2-[[(4-cyanophenyl)-methylcarbamoyl]-cyclopropylamino]acetic acid?
2-[[(4-cyanophenyl)-methylcarbamoyl]-cyclopropylamino]acetic acid has a molecular weight of 273.29 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-cyanophenyl)-methylcarbamoyl]-cyclopropylamino]acetic acid is sourced from PubChem (CID 62982894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).