2-amino-3-(1H-imidazol-5-yl)propanoic acid;butyl(triphenyl)phosphanium

C28H33N3O2P+ — CID 175451649

IUPAC2-amino-3-(1H-imidazol-5-yl)propanoic acid;butyl(triphenyl)phosphanium
SMILESCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.NC(Cc1cnc[nH]1)C(=O)O
InChIInChI=1S/C22H24P.C6H9N3O2/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;7-5(6(10)11)1-4-2-8-3-9-4/h4-18H,2-3,19H2,1H3;2-3,5H,1,7H2,(H,8,9)(H,10,11)/q+1;
InChIKeyFGIZLVOBMOJJKT-UHFFFAOYSA-N
MW474.57 g/mol
LogP4.14
Rot. Bonds9

About 2-amino-3-(1H-imidazol-5-yl)propanoic acid;butyl(triphenyl)phosphanium

2-amino-3-(1H-imidazol-5-yl)propanoic acid;butyl(triphenyl)phosphanium (PubChem CID 175451649) has the molecular formula C28H33N3O2P+ and a molecular weight of 474.57 g/mol. Its IUPAC name is 2-amino-3-(1H-imidazol-5-yl)propanoic acid;butyl(triphenyl)phosphanium.

Molecular Properties

Compound Name2-amino-3-(1H-imidazol-5-yl)propanoic acid;butyl(triphenyl)phosphanium
PubChem CID175451649
Molecular FormulaC28H33N3O2P+
Molecular Weight474.57 g/mol
Exact Mass474.23
IUPAC Name2-amino-3-(1H-imidazol-5-yl)propanoic acid;butyl(triphenyl)phosphanium
SMILESCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.NC(Cc1cnc[nH]1)C(=O)O
InChIInChI=1S/C22H24P.C6H9N3O2/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;7-5(6(10)11)1-4-2-8-3-9-4/h4-18H,2-3,19H2,1H3;2-3,5H,1,7H2,(H,8,9)(H,10,11)/q+1;
InChIKeyFGIZLVOBMOJJKT-UHFFFAOYSA-N
XLogP4.14
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.57
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(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)propanoic acid;gallane
CID 173470688
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;sulfane
CID 158124498
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;mercury
CID 174719517
2-amino-3-(1H-imidazol-5-yl)propanoic acid;titanium
CID 88748580
2-amino-3-(1H-imidazol-5-yl)propanoic acid;sulfane
CID 158124499
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;bis((2S)-2-amino-3-phenylpropanoic acid);(2S)-2-aminopropanoic acid
CID 18657563
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;formaldehyde
CID 67449717
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;zinc;dihydrate
CID 67532812
2-amino-3-(1H-imidazol-5-yl)propanoic acid;hydrate;hydrochloride
CID 517335
2-amino-3-(1H-imidazol-5-yl)propanoic acid;2-phenylacetic acid
CID 174909825

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1H-imidazol-5-yl)propanoic acid;butyl(triphenyl)phosphanium?
The IUPAC name of 2-amino-3-(1H-imidazol-5-yl)propanoic acid;butyl(triphenyl)phosphanium (CID 175451649) is 2-amino-3-(1H-imidazol-5-yl)propanoic acid;butyl(triphenyl)phosphanium.
What is the SMILES notation for 2-amino-3-(1H-imidazol-5-yl)propanoic acid;butyl(triphenyl)phosphanium?
The canonical SMILES for 2-amino-3-(1H-imidazol-5-yl)propanoic acid;butyl(triphenyl)phosphanium is CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.NC(Cc1cnc[nH]1)C(=O)O.
What is the InChIKey of 2-amino-3-(1H-imidazol-5-yl)propanoic acid;butyl(triphenyl)phosphanium?
The InChIKey is FGIZLVOBMOJJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24P.C6H9N3O2/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;7-5(6(10)11)1-4-2-8-3-9-4/h4-18H,2-3,19H2,1H3;2-3,5H,1,7H2,(H,8,9)(H,10,11)/q+1;.
What are the key properties of 2-amino-3-(1H-imidazol-5-yl)propanoic acid;butyl(triphenyl)phosphanium?
2-amino-3-(1H-imidazol-5-yl)propanoic acid;butyl(triphenyl)phosphanium has a molecular weight of 474.57 g/mol, XLogP of 4.14, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1H-imidazol-5-yl)propanoic acid;butyl(triphenyl)phosphanium is sourced from PubChem (CID 175451649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).