2-[3-imidazol-1-ylpropylcarbamoyl(methyl)amino]acetic acid

C10H16N4O3 — CID 43135799

IUPAC2-[3-imidazol-1-ylpropylcarbamoyl(methyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)NCCCn1ccnc1
InChIInChI=1S/C10H16N4O3/c1-13(7-9(15)16)10(17)12-3-2-5-14-6-4-11-8-14/h4,6,8H,2-3,5,7H2,1H3,(H,12,17)(H,15,16)
InChIKeyYFTXIBZOVCQYQN-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.00
Rot. Bonds6

About 2-[3-imidazol-1-ylpropylcarbamoyl(methyl)amino]acetic acid

2-[3-imidazol-1-ylpropylcarbamoyl(methyl)amino]acetic acid (PubChem CID 43135799) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[3-imidazol-1-ylpropylcarbamoyl(methyl)amino]acetic acid.

Molecular Properties

Compound Name2-[3-imidazol-1-ylpropylcarbamoyl(methyl)amino]acetic acid
PubChem CID43135799
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name2-[3-imidazol-1-ylpropylcarbamoyl(methyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)NCCCn1ccnc1
InChIInChI=1S/C10H16N4O3/c1-13(7-9(15)16)10(17)12-3-2-5-14-6-4-11-8-14/h4,6,8H,2-3,5,7H2,1H3,(H,12,17)(H,15,16)
InChIKeyYFTXIBZOVCQYQN-UHFFFAOYSA-N
XLogP-0.00
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[3-imidazol-1-ylpropylcarbamoyl(methyl)amino]acetic 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

2-[3-imidazol-1-ylpropylcarbamoyl(propyl)amino]acetic acid
CID 61184302
4-(3-imidazol-1-ylpropylcarbamoylamino)butanoic acid
CID 61184653
2-[carboxymethyl(2-imidazol-1-ylethylcarbamoyl)amino]acetic acid
CID 63646315
2-[4-imidazol-1-ylbutylcarbamoyl(methyl)amino]-2-methylpropanoic acid
CID 62822054
1-carbamoyl-1,3-bis(3-imidazol-1-ylpropyl)urea
CID 164606173
3-[3-imidazol-1-ylpropyl(methyl)amino]propanoic acid
CID 61492835
3-imidazol-1-ylpropylurea
CID 22179621
N-butyl-N'-(3-imidazol-1-ylpropyl)oxamide
CID 565508
3-(ethylamino)-N-(3-imidazol-1-ylpropyl)propanamide
CID 62833387
N-(3-imidazol-1-ylpropyl)tridecanamide
CID 142486027
1-(4-imidazol-1-ylbutyl)-3-methylurea
CID 115589253
4-(3-imidazol-1-ylpropylamino)-4-oxobutanoate
CID 7009162

Frequently Asked Questions

What is the IUPAC name of 2-[3-imidazol-1-ylpropylcarbamoyl(methyl)amino]acetic acid?
The IUPAC name of 2-[3-imidazol-1-ylpropylcarbamoyl(methyl)amino]acetic acid (CID 43135799) is 2-[3-imidazol-1-ylpropylcarbamoyl(methyl)amino]acetic acid.
What is the SMILES notation for 2-[3-imidazol-1-ylpropylcarbamoyl(methyl)amino]acetic acid?
The canonical SMILES for 2-[3-imidazol-1-ylpropylcarbamoyl(methyl)amino]acetic acid is CN(CC(=O)O)C(=O)NCCCn1ccnc1.
What is the InChIKey of 2-[3-imidazol-1-ylpropylcarbamoyl(methyl)amino]acetic acid?
The InChIKey is YFTXIBZOVCQYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-13(7-9(15)16)10(17)12-3-2-5-14-6-4-11-8-14/h4,6,8H,2-3,5,7H2,1H3,(H,12,17)(H,15,16).
What are the key properties of 2-[3-imidazol-1-ylpropylcarbamoyl(methyl)amino]acetic acid?
2-[3-imidazol-1-ylpropylcarbamoyl(methyl)amino]acetic acid has a molecular weight of 240.26 g/mol, XLogP of -0.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-imidazol-1-ylpropylcarbamoyl(methyl)amino]acetic acid is sourced from PubChem (CID 43135799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).