2-amino-3-[(3-cyanobenzoyl)amino]propanoic acid

C11H11N3O3 — CID 67154339

IUPAC2-amino-3-[(3-cyanobenzoyl)amino]propanoic acid
SMILESN#Cc1cccc(C(=O)NCC(N)C(=O)O)c1
InChIInChI=1S/C11H11N3O3/c12-5-7-2-1-3-8(4-7)10(15)14-6-9(13)11(16)17/h1-4,9H,6,13H2,(H,14,15)(H,16,17)
InChIKeyAMKBKFLFODHNMU-UHFFFAOYSA-N
MW233.23 g/mol
LogP-0.30
Rot. Bonds4

About 2-amino-3-[(3-cyanobenzoyl)amino]propanoic acid

2-amino-3-[(3-cyanobenzoyl)amino]propanoic acid (PubChem CID 67154339) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 2-amino-3-[(3-cyanobenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[(3-cyanobenzoyl)amino]propanoic acid
PubChem CID67154339
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name2-amino-3-[(3-cyanobenzoyl)amino]propanoic acid
SMILESN#Cc1cccc(C(=O)NCC(N)C(=O)O)c1
InChIInChI=1S/C11H11N3O3/c12-5-7-2-1-3-8(4-7)10(15)14-6-9(13)11(16)17/h1-4,9H,6,13H2,(H,14,15)(H,16,17)
InChIKeyAMKBKFLFODHNMU-UHFFFAOYSA-N
XLogP-0.30
TPSA116.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102906072
N-(2-bromopropyl)-3-cyanobenzamide
CID 114308516
3-cyano-N-(2-hydroxy-3-phenylpropyl)benzamide
CID 56765259
(2S)-4-[(3-cyanobenzoyl)amino]-2-hydroxybutanoic acid
CID 114006574
5-[(3-cyanobenzoyl)amino]-4-methylpentanoic acid
CID 82009055
3-cyano-N-(2-cyclopropyl-2-hydroxyethyl)benzamide
CID 63294478
N-[2-(carbamoylamino)ethyl]-3-cyanobenzamide
CID 78993904
3-cyano-N-(2-oxopropyl)benzamide
CID 64997343
3-cyano-N-(2-ethoxypropyl)benzamide
CID 113241599
3-cyano-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide
CID 51941970
(2S)-2-amino-4-[[2-(3-cyanophenyl)-2-oxoethyl]amino]butanoic acid
CID 150315024
3-cyano-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide
CID 90499972

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(3-cyanobenzoyl)amino]propanoic acid?
The IUPAC name of 2-amino-3-[(3-cyanobenzoyl)amino]propanoic acid (CID 67154339) is 2-amino-3-[(3-cyanobenzoyl)amino]propanoic acid.
What is the SMILES notation for 2-amino-3-[(3-cyanobenzoyl)amino]propanoic acid?
The canonical SMILES for 2-amino-3-[(3-cyanobenzoyl)amino]propanoic acid is N#Cc1cccc(C(=O)NCC(N)C(=O)O)c1.
What is the InChIKey of 2-amino-3-[(3-cyanobenzoyl)amino]propanoic acid?
The InChIKey is AMKBKFLFODHNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c12-5-7-2-1-3-8(4-7)10(15)14-6-9(13)11(16)17/h1-4,9H,6,13H2,(H,14,15)(H,16,17).
What are the key properties of 2-amino-3-[(3-cyanobenzoyl)amino]propanoic acid?
2-amino-3-[(3-cyanobenzoyl)amino]propanoic acid has a molecular weight of 233.23 g/mol, XLogP of -0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(3-cyanobenzoyl)amino]propanoic acid is sourced from PubChem (CID 67154339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).