(2S)-5-[4-(2-acetamidoethyl)imidazol-1-yl]-2-amino-5-oxopentanoic acid

C12H18N4O4 — CID 91226345

IUPAC(2S)-5-[4-(2-acetamidoethyl)imidazol-1-yl]-2-amino-5-oxopentanoic acid
SMILESCC(=O)NCCc1cn(C(=O)CC[C@H](N)C(=O)O)cn1
InChIInChI=1S/C12H18N4O4/c1-8(17)14-5-4-9-6-16(7-15-9)11(18)3-2-10(13)12(19)20/h6-7,10H,2-5,13H2,1H3,(H,14,17)(H,19,20)/t10-/m0/s1
InChIKeyBYLWQSHYZCTVMQ-JTQLQIEISA-N
MW282.30 g/mol
LogP-0.61
Rot. Bonds7

About (2S)-5-[4-(2-acetamidoethyl)imidazol-1-yl]-2-amino-5-oxopentanoic acid

(2S)-5-[4-(2-acetamidoethyl)imidazol-1-yl]-2-amino-5-oxopentanoic acid (PubChem CID 91226345) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is (2S)-5-[4-(2-acetamidoethyl)imidazol-1-yl]-2-amino-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-[4-(2-acetamidoethyl)imidazol-1-yl]-2-amino-5-oxopentanoic acid
PubChem CID91226345
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name(2S)-5-[4-(2-acetamidoethyl)imidazol-1-yl]-2-amino-5-oxopentanoic acid
SMILESCC(=O)NCCc1cn(C(=O)CC[C@H](N)C(=O)O)cn1
InChIInChI=1S/C12H18N4O4/c1-8(17)14-5-4-9-6-16(7-15-9)11(18)3-2-10(13)12(19)20/h6-7,10H,2-5,13H2,1H3,(H,14,17)(H,19,20)/t10-/m0/s1
InChIKeyBYLWQSHYZCTVMQ-JTQLQIEISA-N
XLogP-0.61
TPSA127.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S)-5-[4-(2-acetamidoethyl)imidazol-1-yl]-2-amino-5-oxopentanoic 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-amino-5-oxo-5-(2-pyridin-2-ylethylamino)pentanoic acid
CID 69303223
(2R)-2-amino-3-(1-methylimidazol-4-yl)propanoic acid
CID 6993114
(2S)-2-amino-3-[1-(hexanoylcarbamoyl)imidazol-4-yl]propanoic acid
CID 67901520
(2S)-2-amino-3-[1-[(2S)-2,6-diaminohexanoyl]imidazol-4-yl]propanoic acid
CID 57301212
1-[4-(2-aminoethyl)imidazol-1-yl]-3-piperidin-1-ylpropan-1-one
CID 112532334
tert-butyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazole-1-carboxylate
CID 819122
(2R)-2-amino-3-(1-ethylimidazol-4-yl)propanoic acid
CID 92852983
tert-butyl N-[(2S)-1-[2-[1-[(2S)-2-amino-3-phenylpropanoyl]imidazol-4-yl]ethylamino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 56976120
2-amino-3-[1-(3-methylbutyl)imidazol-4-yl]propanoic acid
CID 22352289
(2S)-2-amino-3-[1-(trideuteriomethyl)imidazol-4-yl]propanoic acid
CID 71309270
methyl (2S)-2-amino-4-(1-methylimidazol-4-yl)butanoate
CID 124706134
4-amino-5-[2-(1-methylimidazol-2-yl)ethylamino]-5-oxopentanoic acid
CID 64890881

Frequently Asked Questions

What is the IUPAC name of (2S)-5-[4-(2-acetamidoethyl)imidazol-1-yl]-2-amino-5-oxopentanoic acid?
The IUPAC name of (2S)-5-[4-(2-acetamidoethyl)imidazol-1-yl]-2-amino-5-oxopentanoic acid (CID 91226345) is (2S)-5-[4-(2-acetamidoethyl)imidazol-1-yl]-2-amino-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-[4-(2-acetamidoethyl)imidazol-1-yl]-2-amino-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-[4-(2-acetamidoethyl)imidazol-1-yl]-2-amino-5-oxopentanoic acid is CC(=O)NCCc1cn(C(=O)CC[C@H](N)C(=O)O)cn1.
What is the InChIKey of (2S)-5-[4-(2-acetamidoethyl)imidazol-1-yl]-2-amino-5-oxopentanoic acid?
The InChIKey is BYLWQSHYZCTVMQ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18N4O4/c1-8(17)14-5-4-9-6-16(7-15-9)11(18)3-2-10(13)12(19)20/h6-7,10H,2-5,13H2,1H3,(H,14,17)(H,19,20)/t10-/m0/s1.
What are the key properties of (2S)-5-[4-(2-acetamidoethyl)imidazol-1-yl]-2-amino-5-oxopentanoic acid?
(2S)-5-[4-(2-acetamidoethyl)imidazol-1-yl]-2-amino-5-oxopentanoic acid has a molecular weight of 282.30 g/mol, XLogP of -0.61, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-[4-(2-acetamidoethyl)imidazol-1-yl]-2-amino-5-oxopentanoic acid is sourced from PubChem (CID 91226345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).