[3,5-dicarboxy-1-(carboxyamino)-1-phenylpentan-2-yl]-hydroxy-oxophosphanium

C14H17NO8P+ — CID 69297065

IUPAC[3,5-dicarboxy-1-(carboxyamino)-1-phenylpentan-2-yl]-hydroxy-oxophosphanium
SMILESO=C(O)CCC(C(=O)O)C(C(NC(=O)O)c1ccccc1)[P+](=O)O
InChIInChI=1S/C14H16NO8P/c16-10(17)7-6-9(13(18)19)12(24(22)23)11(15-14(20)21)8-4-2-1-3-5-8/h1-5,9,11-12,15H,6-7H2,(H3-,16,17,18,19,20,21,22,23)/p+1
InChIKeyWOEXKDNOUNTCDH-UHFFFAOYSA-O
MW358.26 g/mol
LogP1.66
Rot. Bonds9

About [3,5-dicarboxy-1-(carboxyamino)-1-phenylpentan-2-yl]-hydroxy-oxophosphanium

[3,5-dicarboxy-1-(carboxyamino)-1-phenylpentan-2-yl]-hydroxy-oxophosphanium (PubChem CID 69297065) has the molecular formula C14H17NO8P+ and a molecular weight of 358.26 g/mol. Its IUPAC name is [3,5-dicarboxy-1-(carboxyamino)-1-phenylpentan-2-yl]-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[3,5-dicarboxy-1-(carboxyamino)-1-phenylpentan-2-yl]-hydroxy-oxophosphanium
PubChem CID69297065
Molecular FormulaC14H17NO8P+
Molecular Weight358.26 g/mol
Exact Mass358.07
IUPAC Name[3,5-dicarboxy-1-(carboxyamino)-1-phenylpentan-2-yl]-hydroxy-oxophosphanium
SMILESO=C(O)CCC(C(=O)O)C(C(NC(=O)O)c1ccccc1)[P+](=O)O
InChIInChI=1S/C14H16NO8P/c16-10(17)7-6-9(13(18)19)12(24(22)23)11(15-14(20)21)8-4-2-1-3-5-8/h1-5,9,11-12,15H,6-7H2,(H3-,16,17,18,19,20,21,22,23)/p+1
InChIKeyWOEXKDNOUNTCDH-UHFFFAOYSA-O
XLogP1.66
TPSA161.23 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.26
LogP ≤ 51.66
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3,5-dicarboxy-1-(dibenzylamino)-1-phenylpentan-2-yl]-hydroxy-oxophosphanium
CID 69296395
(3,5-dicarboxy-1-phenylpentan-2-yl)-hydroxy-oxophosphanium
CID 70151667
(1-anilino-3,5-dicarboxypentan-2-yl)-hydroxy-oxophosphanium
CID 69294668
4-[(2-aminoacetyl)amino]-4-phenylbutanoic acid
CID 61161871
(2R,3R)-2,3-dibenzylhexanedioic acid
CID 172870209
2-[1-[hydroxy(1-phenylethyl)phosphoryl]ethyl]pentanedioic acid
CID 19357738
[3,5-dicarboxy-1-(2-methoxyanilino)pentan-2-yl]-hydroxy-oxophosphanium
CID 69295089
[(2R)-1-(carboxyamino)-4,4-dimethyl-1,6-diphenylhexan-2-yl]carbamic acid
CID 118294483
4-phenyl-4-[[(2S)-2-phenylpropanoyl]amino]butanoic acid
CID 120686337
[3,5-dicarboxy-1-(3-hydroxyanilino)pentan-2-yl]-hydroxy-oxophosphanium
CID 69296366
2-[1-[hydroxy-[methoxy(phenyl)methyl]phosphoryl]ethyl]pentanedioic acid
CID 70267801
4-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]-4-phenylbutanoic acid
CID 120686336

Frequently Asked Questions

What is the IUPAC name of [3,5-dicarboxy-1-(carboxyamino)-1-phenylpentan-2-yl]-hydroxy-oxophosphanium?
The IUPAC name of [3,5-dicarboxy-1-(carboxyamino)-1-phenylpentan-2-yl]-hydroxy-oxophosphanium (CID 69297065) is [3,5-dicarboxy-1-(carboxyamino)-1-phenylpentan-2-yl]-hydroxy-oxophosphanium.
What is the SMILES notation for [3,5-dicarboxy-1-(carboxyamino)-1-phenylpentan-2-yl]-hydroxy-oxophosphanium?
The canonical SMILES for [3,5-dicarboxy-1-(carboxyamino)-1-phenylpentan-2-yl]-hydroxy-oxophosphanium is O=C(O)CCC(C(=O)O)C(C(NC(=O)O)c1ccccc1)[P+](=O)O.
What is the InChIKey of [3,5-dicarboxy-1-(carboxyamino)-1-phenylpentan-2-yl]-hydroxy-oxophosphanium?
The InChIKey is WOEXKDNOUNTCDH-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H16NO8P/c16-10(17)7-6-9(13(18)19)12(24(22)23)11(15-14(20)21)8-4-2-1-3-5-8/h1-5,9,11-12,15H,6-7H2,(H3-,16,17,18,19,20,21,22,23)/p+1.
What are the key properties of [3,5-dicarboxy-1-(carboxyamino)-1-phenylpentan-2-yl]-hydroxy-oxophosphanium?
[3,5-dicarboxy-1-(carboxyamino)-1-phenylpentan-2-yl]-hydroxy-oxophosphanium has a molecular weight of 358.26 g/mol, XLogP of 1.66, 9 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dicarboxy-1-(carboxyamino)-1-phenylpentan-2-yl]-hydroxy-oxophosphanium is sourced from PubChem (CID 69297065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).