2-[ethyl(3-imidazol-1-ylpropanoyl)amino]acetic acid

C10H15N3O3 — CID 61021860

IUPAC2-[ethyl(3-imidazol-1-ylpropanoyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)CCn1ccnc1
InChIInChI=1S/C10H15N3O3/c1-2-13(7-10(15)16)9(14)3-5-12-6-4-11-8-12/h4,6,8H,2-3,5,7H2,1H3,(H,15,16)
InChIKeyCCUNMSSRXOZMGM-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.21
Rot. Bonds6

About 2-[ethyl(3-imidazol-1-ylpropanoyl)amino]acetic acid

2-[ethyl(3-imidazol-1-ylpropanoyl)amino]acetic acid (PubChem CID 61021860) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-[ethyl(3-imidazol-1-ylpropanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl(3-imidazol-1-ylpropanoyl)amino]acetic acid
PubChem CID61021860
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-[ethyl(3-imidazol-1-ylpropanoyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)CCn1ccnc1
InChIInChI=1S/C10H15N3O3/c1-2-13(7-10(15)16)9(14)3-5-12-6-4-11-8-12/h4,6,8H,2-3,5,7H2,1H3,(H,15,16)
InChIKeyCCUNMSSRXOZMGM-UHFFFAOYSA-N
XLogP0.21
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[ethyl(3-imidazol-1-ylpropanoyl)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

ethane;3-imidazol-1-ylpropanoic acid
CID 169203734
N,N-bis(2-hydroxyethyl)-3-imidazol-1-ylpropanamide
CID 61235262
3-imidazol-1-ylpropanoic acid;hydrate
CID 174578472
2-[carboxymethyl(2-imidazol-1-ylethylcarbamoyl)amino]acetic acid
CID 63646315
ethyl 2-[3-imidazol-1-ylpropanoyl(prop-2-enyl)amino]acetate
CID 78954883
N-ethyl-3-imidazol-1-yl-N-(piperidin-2-ylmethyl)propanamide
CID 106626307
N-ethyl-3-imidazol-1-yl-N-(piperidin-3-ylmethyl)propanamide
CID 106629654
2-[3-imidazol-1-ylpropylcarbamoyl(propyl)amino]acetic acid
CID 61184302
2-[ethyl(1-imidazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid
CID 61480594
ethyl 2-[3-imidazol-1-ylpropanoyl(propan-2-yl)amino]acetate
CID 54896305
3-[cyclopropyl(3-imidazol-1-ylpropanoyl)amino]propanoic acid
CID 60846258
2-[1-[3-imidazol-1-ylpropanoyl(methyl)amino]cyclohexyl]acetic acid
CID 65243009

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(3-imidazol-1-ylpropanoyl)amino]acetic acid?
The IUPAC name of 2-[ethyl(3-imidazol-1-ylpropanoyl)amino]acetic acid (CID 61021860) is 2-[ethyl(3-imidazol-1-ylpropanoyl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl(3-imidazol-1-ylpropanoyl)amino]acetic acid?
The canonical SMILES for 2-[ethyl(3-imidazol-1-ylpropanoyl)amino]acetic acid is CCN(CC(=O)O)C(=O)CCn1ccnc1.
What is the InChIKey of 2-[ethyl(3-imidazol-1-ylpropanoyl)amino]acetic acid?
The InChIKey is CCUNMSSRXOZMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-2-13(7-10(15)16)9(14)3-5-12-6-4-11-8-12/h4,6,8H,2-3,5,7H2,1H3,(H,15,16).
What are the key properties of 2-[ethyl(3-imidazol-1-ylpropanoyl)amino]acetic acid?
2-[ethyl(3-imidazol-1-ylpropanoyl)amino]acetic acid has a molecular weight of 225.25 g/mol, XLogP of 0.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(3-imidazol-1-ylpropanoyl)amino]acetic acid is sourced from PubChem (CID 61021860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).