[6-amino-3-carboxy-2-hydroxy-6-oxo-1-(3-phenylphenyl)hexan-2-yl]-oxophosphanium

C19H21NO5P+ — CID 154067774

IUPAC[6-amino-3-carboxy-2-hydroxy-6-oxo-1-(3-phenylphenyl)hexan-2-yl]-oxophosphanium
SMILESNC(=O)CCC(C(=O)O)C(O)(Cc1cccc(-c2ccccc2)c1)[PH+]=O
InChIInChI=1S/C19H20NO5P/c20-17(21)10-9-16(18(22)23)19(24,26-25)12-13-5-4-8-15(11-13)14-6-2-1-3-7-14/h1-8,11,16,24H,9-10,12H2,(H2,20,21)(H,22,23)/p+1
InChIKeyBDZTVDQPKCEAJL-UHFFFAOYSA-O
MW374.35 g/mol
LogP2.58
Rot. Bonds9

About [6-amino-3-carboxy-2-hydroxy-6-oxo-1-(3-phenylphenyl)hexan-2-yl]-oxophosphanium

[6-amino-3-carboxy-2-hydroxy-6-oxo-1-(3-phenylphenyl)hexan-2-yl]-oxophosphanium (PubChem CID 154067774) has the molecular formula C19H21NO5P+ and a molecular weight of 374.35 g/mol. Its IUPAC name is [6-amino-3-carboxy-2-hydroxy-6-oxo-1-(3-phenylphenyl)hexan-2-yl]-oxophosphanium.

Molecular Properties

Compound Name[6-amino-3-carboxy-2-hydroxy-6-oxo-1-(3-phenylphenyl)hexan-2-yl]-oxophosphanium
PubChem CID154067774
Molecular FormulaC19H21NO5P+
Molecular Weight374.35 g/mol
Exact Mass374.12
IUPAC Name[6-amino-3-carboxy-2-hydroxy-6-oxo-1-(3-phenylphenyl)hexan-2-yl]-oxophosphanium
SMILESNC(=O)CCC(C(=O)O)C(O)(Cc1cccc(-c2ccccc2)c1)[PH+]=O
InChIInChI=1S/C19H20NO5P/c20-17(21)10-9-16(18(22)23)19(24,26-25)12-13-5-4-8-15(11-13)14-6-2-1-3-7-14/h1-8,11,16,24H,9-10,12H2,(H2,20,21)(H,22,23)/p+1
InChIKeyBDZTVDQPKCEAJL-UHFFFAOYSA-O
XLogP2.58
TPSA117.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.35
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[6-amino-1-(4-tert-butylphenyl)-3-carboxy-2-hydroxy-6-oxohexan-2-yl]-oxophosphanium
CID 154067772
(8-amino-5-carboxy-4-hydroxy-8-oxo-1-phenyloctan-4-yl)-oxophosphanium
CID 154066843
CID 68604008
CID 68604008
(2S)-5-amino-2-[2-[3-(4-formylphenyl)phenyl]ethyl-(4-phenylbenzoyl)amino]-5-oxopentanoic acid
CID 87701833
1-amino-3-(3-phenylphenyl)propan-2-one
CID 161234923
4-oxo-4-[(3-phenylphenyl)methoxy]butanoic acid
CID 123340763
1-phenyl-3-(2,2,2-trichloroethyl)benzene
CID 90911964
(4S)-4-amino-5-phenylpentanamide;hydrochloride
CID 137464473
6-amino-6-(4-phenylphenyl)hexanamide
CID 60862321
(3-phenylphenyl)methyl propanoate
CID 67574989
(2S)-5-amino-2-(dibenzylamino)-5-oxopentanoic acid
CID 67573864
2-(methylamino)-3-(3-phenylphenyl)propanoic acid
CID 59021845

Frequently Asked Questions

What is the IUPAC name of [6-amino-3-carboxy-2-hydroxy-6-oxo-1-(3-phenylphenyl)hexan-2-yl]-oxophosphanium?
The IUPAC name of [6-amino-3-carboxy-2-hydroxy-6-oxo-1-(3-phenylphenyl)hexan-2-yl]-oxophosphanium (CID 154067774) is [6-amino-3-carboxy-2-hydroxy-6-oxo-1-(3-phenylphenyl)hexan-2-yl]-oxophosphanium.
What is the SMILES notation for [6-amino-3-carboxy-2-hydroxy-6-oxo-1-(3-phenylphenyl)hexan-2-yl]-oxophosphanium?
The canonical SMILES for [6-amino-3-carboxy-2-hydroxy-6-oxo-1-(3-phenylphenyl)hexan-2-yl]-oxophosphanium is NC(=O)CCC(C(=O)O)C(O)(Cc1cccc(-c2ccccc2)c1)[PH+]=O.
What is the InChIKey of [6-amino-3-carboxy-2-hydroxy-6-oxo-1-(3-phenylphenyl)hexan-2-yl]-oxophosphanium?
The InChIKey is BDZTVDQPKCEAJL-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H20NO5P/c20-17(21)10-9-16(18(22)23)19(24,26-25)12-13-5-4-8-15(11-13)14-6-2-1-3-7-14/h1-8,11,16,24H,9-10,12H2,(H2,20,21)(H,22,23)/p+1.
What are the key properties of [6-amino-3-carboxy-2-hydroxy-6-oxo-1-(3-phenylphenyl)hexan-2-yl]-oxophosphanium?
[6-amino-3-carboxy-2-hydroxy-6-oxo-1-(3-phenylphenyl)hexan-2-yl]-oxophosphanium has a molecular weight of 374.35 g/mol, XLogP of 2.58, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-amino-3-carboxy-2-hydroxy-6-oxo-1-(3-phenylphenyl)hexan-2-yl]-oxophosphanium is sourced from PubChem (CID 154067774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).