4,5-dihydroimidazol-1-yl (2S)-2-aminopropanoate

C6H11N3O2 — CID 90804092

IUPAC4,5-dihydroimidazol-1-yl (2S)-2-aminopropanoate
SMILESC[C@H](N)C(=O)ON1C=NCC1
InChIInChI=1S/C6H11N3O2/c1-5(7)6(10)11-9-3-2-8-4-9/h4-5H,2-3,7H2,1H3/t5-/m0/s1
InChIKeyNYNITJRRPDEADD-YFKPBYRVSA-N
MW157.17 g/mol
LogP-0.86
Rot. Bonds2

About 4,5-dihydroimidazol-1-yl (2S)-2-aminopropanoate

4,5-dihydroimidazol-1-yl (2S)-2-aminopropanoate (PubChem CID 90804092) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is 4,5-dihydroimidazol-1-yl (2S)-2-aminopropanoate.

Molecular Properties

Compound Name4,5-dihydroimidazol-1-yl (2S)-2-aminopropanoate
PubChem CID90804092
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Name4,5-dihydroimidazol-1-yl (2S)-2-aminopropanoate
SMILESC[C@H](N)C(=O)ON1C=NCC1
InChIInChI=1S/C6H11N3O2/c1-5(7)6(10)11-9-3-2-8-4-9/h4-5H,2-3,7H2,1H3/t5-/m0/s1
InChIKeyNYNITJRRPDEADD-YFKPBYRVSA-N
XLogP-0.86
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4,5-dihydroimidazol-1-yl (2S)-2-aminopropanoate 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

bis(4,5-dihydroimidazol-1-yl) (2S)-2-aminopentanedioate
CID 175512034
4,5-dihydroimidazol-1-yl propanoate
CID 56996617
sodium;3-(4,5-dihydroimidazol-1-yloxycarbonyl)hexanoic acid;hydride
CID 175172639
[(2R)-2-aminopropanoyl] (2R)-2-aminopropanoate
CID 54111393
2-methylpropyl 2-(4,5-dihydroimidazol-1-yl)-2-sulfanylacetate;hydrobromide
CID 175370764
4,5-dihydroimidazol-1-yloxy-dihydroxy-sulfanylidene-λ5-phosphane
CID 174834135
2-bromopropanoyl (2S)-2-aminopropanoate
CID 87794605
tert-butyl 2-(4,5-dihydroimidazol-1-yl)-2-sulfanylacetate;hydrobromide
CID 175370772
carbamoyl (2R)-2-aminopropanoate
CID 139238224
acetyl (2R)-2-aminopropanoate
CID 11829476
1-trimethylsilylethyl (2R)-2-aminopropanoate
CID 87632217
cyclobuten-1-yl (2S)-2-aminopropanoate
CID 174978794

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroimidazol-1-yl (2S)-2-aminopropanoate?
The IUPAC name of 4,5-dihydroimidazol-1-yl (2S)-2-aminopropanoate (CID 90804092) is 4,5-dihydroimidazol-1-yl (2S)-2-aminopropanoate.
What is the SMILES notation for 4,5-dihydroimidazol-1-yl (2S)-2-aminopropanoate?
The canonical SMILES for 4,5-dihydroimidazol-1-yl (2S)-2-aminopropanoate is C[C@H](N)C(=O)ON1C=NCC1.
What is the InChIKey of 4,5-dihydroimidazol-1-yl (2S)-2-aminopropanoate?
The InChIKey is NYNITJRRPDEADD-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11N3O2/c1-5(7)6(10)11-9-3-2-8-4-9/h4-5H,2-3,7H2,1H3/t5-/m0/s1.
What are the key properties of 4,5-dihydroimidazol-1-yl (2S)-2-aminopropanoate?
4,5-dihydroimidazol-1-yl (2S)-2-aminopropanoate has a molecular weight of 157.17 g/mol, XLogP of -0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroimidazol-1-yl (2S)-2-aminopropanoate is sourced from PubChem (CID 90804092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).