2-amino-3-[1-[5-(4-carbamimidoylphenyl)-4-methylpyrimidin-2-yl]imidazol-4-yl]propanoic acid

C18H19N7O2 — CID 19376417

IUPAC2-amino-3-[1-[5-(4-carbamimidoylphenyl)-4-methylpyrimidin-2-yl]imidazol-4-yl]propanoic acid
SMILES[H]/N=C(\N)c1ccc(-c2cnc(-n3cnc(CC(N)C(=O)O)c3)nc2C)cc1
InChIInChI=1S/C18H19N7O2/c1-10-14(11-2-4-12(5-3-11)16(20)21)7-22-18(24-10)25-8-13(23-9-25)6-15(19)17(26)27/h2-5,7-9,15H,6,19H2,1H3,(H3,20,21)(H,26,27)
InChIKeyADVBWEWBCGYDBR-UHFFFAOYSA-N
MW365.40 g/mol
LogP0.88
Rot. Bonds6

About 2-amino-3-[1-[5-(4-carbamimidoylphenyl)-4-methylpyrimidin-2-yl]imidazol-4-yl]propanoic acid

2-amino-3-[1-[5-(4-carbamimidoylphenyl)-4-methylpyrimidin-2-yl]imidazol-4-yl]propanoic acid (PubChem CID 19376417) has the molecular formula C18H19N7O2 and a molecular weight of 365.40 g/mol. Its IUPAC name is 2-amino-3-[1-[5-(4-carbamimidoylphenyl)-4-methylpyrimidin-2-yl]imidazol-4-yl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[1-[5-(4-carbamimidoylphenyl)-4-methylpyrimidin-2-yl]imidazol-4-yl]propanoic acid
PubChem CID19376417
Molecular FormulaC18H19N7O2
Molecular Weight365.40 g/mol
Exact Mass365.16
IUPAC Name2-amino-3-[1-[5-(4-carbamimidoylphenyl)-4-methylpyrimidin-2-yl]imidazol-4-yl]propanoic acid
SMILES[H]/N=C(\N)c1ccc(-c2cnc(-n3cnc(CC(N)C(=O)O)c3)nc2C)cc1
InChIInChI=1S/C18H19N7O2/c1-10-14(11-2-4-12(5-3-11)16(20)21)7-22-18(24-10)25-8-13(23-9-25)6-15(19)17(26)27/h2-5,7-9,15H,6,19H2,1H3,(H3,20,21)(H,26,27)
InChIKeyADVBWEWBCGYDBR-UHFFFAOYSA-N
XLogP0.88
TPSA156.79 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 50.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-amino-3-[1-[5-(4-carbamimidoylphenyl)-4-methylpyrimidin-2-yl]imidazol-4-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-[5-(4-carbamimidoylphenyl)-4-methylpyrimidin-2-yl]imidazol-4-yl]propanoic acid
CID 19376380
3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]imidazol-4-yl]-2-hydroxypropanoic acid
CID 19376443
3-[1-[4-(4-carbamimidoylphenyl)-2-methylsulfonylphenyl]imidazol-4-yl]propanoic acid
CID 19376556
(2R)-2-amino-3-(1-ethylimidazol-4-yl)propanoic acid
CID 92852983
(2R)-2-amino-3-(1-methylimidazol-4-yl)propanoic acid
CID 6993114
(2S)-2-amino-3-[5-(6-methyl-1,2,4,5-tetrazin-3-yl)-2-pyridinyl]propanoic acid
CID 147892822
methyl 3-[1-[4-(4-carbamimidoylphenyl)-2-methylsulfonylphenyl]imidazol-4-yl]propanoate
CID 19376593
methyl 3-[1-[4-(5-carbamimidoylpyrimidin-2-yl)phenyl]imidazol-4-yl]propanoate
CID 19376573
(2S)-2-amino-3-[1-(trideuteriomethyl)imidazol-4-yl]propanoic acid
CID 71309270
(2S)-2-amino-3-(1-ethenylimidazol-4-yl)propanoic acid
CID 57166193
2-amino-3-(1-ethyl-5-methylpyrazol-3-yl)propanoic acid
CID 19620649
methyl 2-amino-3-(1-phenylimidazol-4-yl)propanoate
CID 20872879

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[1-[5-(4-carbamimidoylphenyl)-4-methylpyrimidin-2-yl]imidazol-4-yl]propanoic acid?
The IUPAC name of 2-amino-3-[1-[5-(4-carbamimidoylphenyl)-4-methylpyrimidin-2-yl]imidazol-4-yl]propanoic acid (CID 19376417) is 2-amino-3-[1-[5-(4-carbamimidoylphenyl)-4-methylpyrimidin-2-yl]imidazol-4-yl]propanoic acid.
What is the SMILES notation for 2-amino-3-[1-[5-(4-carbamimidoylphenyl)-4-methylpyrimidin-2-yl]imidazol-4-yl]propanoic acid?
The canonical SMILES for 2-amino-3-[1-[5-(4-carbamimidoylphenyl)-4-methylpyrimidin-2-yl]imidazol-4-yl]propanoic acid is [H]/N=C(\N)c1ccc(-c2cnc(-n3cnc(CC(N)C(=O)O)c3)nc2C)cc1.
What is the InChIKey of 2-amino-3-[1-[5-(4-carbamimidoylphenyl)-4-methylpyrimidin-2-yl]imidazol-4-yl]propanoic acid?
The InChIKey is ADVBWEWBCGYDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O2/c1-10-14(11-2-4-12(5-3-11)16(20)21)7-22-18(24-10)25-8-13(23-9-25)6-15(19)17(26)27/h2-5,7-9,15H,6,19H2,1H3,(H3,20,21)(H,26,27).
What are the key properties of 2-amino-3-[1-[5-(4-carbamimidoylphenyl)-4-methylpyrimidin-2-yl]imidazol-4-yl]propanoic acid?
2-amino-3-[1-[5-(4-carbamimidoylphenyl)-4-methylpyrimidin-2-yl]imidazol-4-yl]propanoic acid has a molecular weight of 365.40 g/mol, XLogP of 0.88, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[1-[5-(4-carbamimidoylphenyl)-4-methylpyrimidin-2-yl]imidazol-4-yl]propanoic acid is sourced from PubChem (CID 19376417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).