(2S)-2-amino-3-(1H-imidazol-5-yl)-1-(tetramethyl-λ5-phosphanyl)propan-1-one

C10H20N3OP — CID 173268620

IUPAC(2S)-2-amino-3-(1H-imidazol-5-yl)-1-(tetramethyl-λ5-phosphanyl)propan-1-one
SMILESCP(C)(C)(C)C(=O)[C@@H](N)Cc1cnc[nH]1
InChIInChI=1S/C10H20N3OP/c1-15(2,3,4)10(14)9(11)5-8-6-12-7-13-8/h6-7,9H,5,11H2,1-4H3,(H,12,13)/t9-/m0/s1
InChIKeyZUEHFUHJUVIJJX-VIFPVBQESA-N
MW229.26 g/mol
LogP0.88
Rot. Bonds4

About (2S)-2-amino-3-(1H-imidazol-5-yl)-1-(tetramethyl-λ5-phosphanyl)propan-1-one

(2S)-2-amino-3-(1H-imidazol-5-yl)-1-(tetramethyl-λ5-phosphanyl)propan-1-one (PubChem CID 173268620) has the molecular formula C10H20N3OP and a molecular weight of 229.26 g/mol. Its IUPAC name is (2S)-2-amino-3-(1H-imidazol-5-yl)-1-(tetramethyl-λ5-phosphanyl)propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-3-(1H-imidazol-5-yl)-1-(tetramethyl-λ5-phosphanyl)propan-1-one
PubChem CID173268620
Molecular FormulaC10H20N3OP
Molecular Weight229.26 g/mol
Exact Mass229.13
IUPAC Name(2S)-2-amino-3-(1H-imidazol-5-yl)-1-(tetramethyl-λ5-phosphanyl)propan-1-one
SMILESCP(C)(C)(C)C(=O)[C@@H](N)Cc1cnc[nH]1
InChIInChI=1S/C10H20N3OP/c1-15(2,3,4)10(14)9(11)5-8-6-12-7-13-8/h6-7,9H,5,11H2,1-4H3,(H,12,13)/t9-/m0/s1
InChIKeyZUEHFUHJUVIJJX-VIFPVBQESA-N
XLogP0.88
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 45260587
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CID 177242295
(2R)-2-amino-3-(1H-imidazol-5-yl)propanamide
CID 22877832
(2S)-2-amino-3-((2,4-13C2)1H-imidazol-5-yl)(113C)propanoic acid
CID 102176482
2-amino-3-(1H-imidazol-5-yl)propanoic acid;molybdenum
CID 174573236
[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl] 2-amino-3-(1H-imidazol-5-yl)propanoate
CID 57179687
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;gallane
CID 173470688
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;mercury
CID 174719517
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;sulfane
CID 158124498
2-amino-3-(1H-imidazol-5-yl)propanoic acid;titanium
CID 88748580
2-amino-3-(1H-imidazol-5-yl)propanoic acid;sulfane
CID 158124499
2-amino-1-(1H-imidazol-5-yl)pentan-3-one;ethane
CID 168886358

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(1H-imidazol-5-yl)-1-(tetramethyl-λ5-phosphanyl)propan-1-one?
The IUPAC name of (2S)-2-amino-3-(1H-imidazol-5-yl)-1-(tetramethyl-λ5-phosphanyl)propan-1-one (CID 173268620) is (2S)-2-amino-3-(1H-imidazol-5-yl)-1-(tetramethyl-λ5-phosphanyl)propan-1-one.
What is the SMILES notation for (2S)-2-amino-3-(1H-imidazol-5-yl)-1-(tetramethyl-λ5-phosphanyl)propan-1-one?
The canonical SMILES for (2S)-2-amino-3-(1H-imidazol-5-yl)-1-(tetramethyl-λ5-phosphanyl)propan-1-one is CP(C)(C)(C)C(=O)[C@@H](N)Cc1cnc[nH]1.
What is the InChIKey of (2S)-2-amino-3-(1H-imidazol-5-yl)-1-(tetramethyl-λ5-phosphanyl)propan-1-one?
The InChIKey is ZUEHFUHJUVIJJX-VIFPVBQESA-N. The full InChI is InChI=1S/C10H20N3OP/c1-15(2,3,4)10(14)9(11)5-8-6-12-7-13-8/h6-7,9H,5,11H2,1-4H3,(H,12,13)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-3-(1H-imidazol-5-yl)-1-(tetramethyl-λ5-phosphanyl)propan-1-one?
(2S)-2-amino-3-(1H-imidazol-5-yl)-1-(tetramethyl-λ5-phosphanyl)propan-1-one has a molecular weight of 229.26 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(1H-imidazol-5-yl)-1-(tetramethyl-λ5-phosphanyl)propan-1-one is sourced from PubChem (CID 173268620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).