(2S)-3-(2-oxo-1,3-dihydroimidazol-4-yl)-2-(propan-2-ylamino)propanal

C9H15N3O2 — CID 171650390

IUPAC(2S)-3-(2-oxo-1,3-dihydroimidazol-4-yl)-2-(propan-2-ylamino)propanal
SMILESCC(C)N[C@H](C=O)Cc1c[nH]c(=O)[nH]1
InChIInChI=1S/C9H15N3O2/c1-6(2)11-8(5-13)3-7-4-10-9(14)12-7/h4-6,8,11H,3H2,1-2H3,(H2,10,12,14)/t8-/m0/s1
InChIKeyRCLISNXJBDNGOL-QMMMGPOBSA-N
MW197.24 g/mol
LogP-0.19
Rot. Bonds5

About (2S)-3-(2-oxo-1,3-dihydroimidazol-4-yl)-2-(propan-2-ylamino)propanal

(2S)-3-(2-oxo-1,3-dihydroimidazol-4-yl)-2-(propan-2-ylamino)propanal (PubChem CID 171650390) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is (2S)-3-(2-oxo-1,3-dihydroimidazol-4-yl)-2-(propan-2-ylamino)propanal.

Molecular Properties

Compound Name(2S)-3-(2-oxo-1,3-dihydroimidazol-4-yl)-2-(propan-2-ylamino)propanal
PubChem CID171650390
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name(2S)-3-(2-oxo-1,3-dihydroimidazol-4-yl)-2-(propan-2-ylamino)propanal
SMILESCC(C)N[C@H](C=O)Cc1c[nH]c(=O)[nH]1
InChIInChI=1S/C9H15N3O2/c1-6(2)11-8(5-13)3-7-4-10-9(14)12-7/h4-6,8,11H,3H2,1-2H3,(H2,10,12,14)/t8-/m0/s1
InChIKeyRCLISNXJBDNGOL-QMMMGPOBSA-N
XLogP-0.19
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-3-(2-oxo-1,3-dihydroimidazol-4-yl)-2-(propan-2-ylamino)propanal 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-(propylamino)-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propanal
CID 88940853
N-[(2S)-1-(2,3-dihydro-1H-imidazol-4-yl)-3-oxopropan-2-yl]-4-methylpentanamide
CID 129136699
2-(3-methyl-2-oxo-1H-imidazol-4-yl)-N-(2-oxoethyl)acetamide
CID 144562086

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(2-oxo-1,3-dihydroimidazol-4-yl)-2-(propan-2-ylamino)propanal?
The IUPAC name of (2S)-3-(2-oxo-1,3-dihydroimidazol-4-yl)-2-(propan-2-ylamino)propanal (CID 171650390) is (2S)-3-(2-oxo-1,3-dihydroimidazol-4-yl)-2-(propan-2-ylamino)propanal.
What is the SMILES notation for (2S)-3-(2-oxo-1,3-dihydroimidazol-4-yl)-2-(propan-2-ylamino)propanal?
The canonical SMILES for (2S)-3-(2-oxo-1,3-dihydroimidazol-4-yl)-2-(propan-2-ylamino)propanal is CC(C)N[C@H](C=O)Cc1c[nH]c(=O)[nH]1.
What is the InChIKey of (2S)-3-(2-oxo-1,3-dihydroimidazol-4-yl)-2-(propan-2-ylamino)propanal?
The InChIKey is RCLISNXJBDNGOL-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-6(2)11-8(5-13)3-7-4-10-9(14)12-7/h4-6,8,11H,3H2,1-2H3,(H2,10,12,14)/t8-/m0/s1.
What are the key properties of (2S)-3-(2-oxo-1,3-dihydroimidazol-4-yl)-2-(propan-2-ylamino)propanal?
(2S)-3-(2-oxo-1,3-dihydroimidazol-4-yl)-2-(propan-2-ylamino)propanal has a molecular weight of 197.24 g/mol, XLogP of -0.19, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(2-oxo-1,3-dihydroimidazol-4-yl)-2-(propan-2-ylamino)propanal is sourced from PubChem (CID 171650390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).