4-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]pentanoic acid

C11H18N4O3 — CID 107498788

IUPAC4-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]pentanoic acid
SMILESCC(CCC(=O)O)NC(=O)c1cn(CCN)cn1
InChIInChI=1S/C11H18N4O3/c1-8(2-3-10(16)17)14-11(18)9-6-15(5-4-12)7-13-9/h6-8H,2-5,12H2,1H3,(H,14,18)(H,16,17)
InChIKeyRHDPZEXNIXEGFR-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.18
Rot. Bonds7

About 4-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]pentanoic acid

4-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]pentanoic acid (PubChem CID 107498788) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]pentanoic acid
PubChem CID107498788
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name4-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]pentanoic acid
SMILESCC(CCC(=O)O)NC(=O)c1cn(CCN)cn1
InChIInChI=1S/C11H18N4O3/c1-8(2-3-10(16)17)14-11(18)9-6-15(5-4-12)7-13-9/h6-8H,2-5,12H2,1H3,(H,14,18)(H,16,17)
InChIKeyRHDPZEXNIXEGFR-UHFFFAOYSA-N
XLogP-0.18
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]pentanoic 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

(2S)-2-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]pentanedioic acid
CID 107497570
6-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]-2-methylheptanoic acid
CID 107498996
1-(2-aminoethyl)-N-(4-methylsulfanylbutan-2-yl)imidazole-4-carboxamide
CID 107499731
1-(2-aminoethyl)-N-(1-cyanopropan-2-yl)imidazole-4-carboxamide
CID 107498166
1-(2-aminoethyl)-N-(3,3-dimethylbutan-2-yl)imidazole-4-carboxamide
CID 107499699
1-(2-aminoethyl)-N-(2-methyl-1-phenylpropyl)imidazole-4-carboxamide
CID 107496348
1-(2-aminoethyl)-N-[1-(2-methylphenyl)propan-2-yl]imidazole-4-carboxamide
CID 107496790
methyl (2S)-2-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]-4-methylpentanoate
CID 107499600
3-[[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]methyl]-5-methylhexanoic acid
CID 107499022
2-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]-4-methylsulfonylbutanoic acid
CID 107497485
1-(2-aminoethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]imidazole-4-carboxamide
CID 107496824
1-(2-aminoethyl)-N-[1-(4-fluorophenyl)ethyl]imidazole-4-carboxamide
CID 107497612

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]pentanoic acid?
The IUPAC name of 4-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]pentanoic acid (CID 107498788) is 4-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]pentanoic acid.
What is the SMILES notation for 4-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]pentanoic acid?
The canonical SMILES for 4-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]pentanoic acid is CC(CCC(=O)O)NC(=O)c1cn(CCN)cn1.
What is the InChIKey of 4-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]pentanoic acid?
The InChIKey is RHDPZEXNIXEGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-8(2-3-10(16)17)14-11(18)9-6-15(5-4-12)7-13-9/h6-8H,2-5,12H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 4-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]pentanoic acid?
4-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]pentanoic acid has a molecular weight of 254.29 g/mol, XLogP of -0.18, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 107498788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).