2-amino-N-[(2S)-1-(1-methylimidazol-4-yl)-3-oxopropan-2-yl]acetamide

C9H14N4O2 — CID 54437218

IUPAC2-amino-N-[(2S)-1-(1-methylimidazol-4-yl)-3-oxopropan-2-yl]acetamide
SMILESCn1cnc(C[C@@H](C=O)NC(=O)CN)c1
InChIInChI=1S/C9H14N4O2/c1-13-4-7(11-6-13)2-8(5-14)12-9(15)3-10/h4-6,8H,2-3,10H2,1H3,(H,12,15)/t8-/m0/s1
InChIKeyWDSBOCGCGLVDAF-QMMMGPOBSA-N
MW210.24 g/mol
LogP-1.39
Rot. Bonds5

About 2-amino-N-[(2S)-1-(1-methylimidazol-4-yl)-3-oxopropan-2-yl]acetamide

2-amino-N-[(2S)-1-(1-methylimidazol-4-yl)-3-oxopropan-2-yl]acetamide (PubChem CID 54437218) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-amino-N-[(2S)-1-(1-methylimidazol-4-yl)-3-oxopropan-2-yl]acetamide.

Molecular Properties

Compound Name2-amino-N-[(2S)-1-(1-methylimidazol-4-yl)-3-oxopropan-2-yl]acetamide
PubChem CID54437218
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name2-amino-N-[(2S)-1-(1-methylimidazol-4-yl)-3-oxopropan-2-yl]acetamide
SMILESCn1cnc(C[C@@H](C=O)NC(=O)CN)c1
InChIInChI=1S/C9H14N4O2/c1-13-4-7(11-6-13)2-8(5-14)12-9(15)3-10/h4-6,8H,2-3,10H2,1H3,(H,12,15)/t8-/m0/s1
InChIKeyWDSBOCGCGLVDAF-QMMMGPOBSA-N
XLogP-1.39
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-1.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2S)-1-(1-methylimidazol-4-yl)-3-oxopropan-2-yl]acetamide?
The IUPAC name of 2-amino-N-[(2S)-1-(1-methylimidazol-4-yl)-3-oxopropan-2-yl]acetamide (CID 54437218) is 2-amino-N-[(2S)-1-(1-methylimidazol-4-yl)-3-oxopropan-2-yl]acetamide.
What is the SMILES notation for 2-amino-N-[(2S)-1-(1-methylimidazol-4-yl)-3-oxopropan-2-yl]acetamide?
The canonical SMILES for 2-amino-N-[(2S)-1-(1-methylimidazol-4-yl)-3-oxopropan-2-yl]acetamide is Cn1cnc(C[C@@H](C=O)NC(=O)CN)c1.
What is the InChIKey of 2-amino-N-[(2S)-1-(1-methylimidazol-4-yl)-3-oxopropan-2-yl]acetamide?
The InChIKey is WDSBOCGCGLVDAF-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-13-4-7(11-6-13)2-8(5-14)12-9(15)3-10/h4-6,8H,2-3,10H2,1H3,(H,12,15)/t8-/m0/s1.
What are the key properties of 2-amino-N-[(2S)-1-(1-methylimidazol-4-yl)-3-oxopropan-2-yl]acetamide?
2-amino-N-[(2S)-1-(1-methylimidazol-4-yl)-3-oxopropan-2-yl]acetamide has a molecular weight of 210.24 g/mol, XLogP of -1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2S)-1-(1-methylimidazol-4-yl)-3-oxopropan-2-yl]acetamide is sourced from PubChem (CID 54437218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).