(3-acetamido-3-carboxypropyl)-(hydroxymethyl)-oxophosphanium

C7H13NO5P+ — CID 71340326

IUPAC(3-acetamido-3-carboxypropyl)-(hydroxymethyl)-oxophosphanium
SMILESCC(=O)NC(CC[P+](=O)CO)C(=O)O
InChIInChI=1S/C7H12NO5P/c1-5(10)8-6(7(11)12)2-3-14(13)4-9/h6,9H,2-4H2,1H3,(H-,8,10,11,12)/p+1
InChIKeyLNNYYSDBYAQDQK-UHFFFAOYSA-O
MW222.16 g/mol
LogP-0.26
Rot. Bonds6

About (3-acetamido-3-carboxypropyl)-(hydroxymethyl)-oxophosphanium

(3-acetamido-3-carboxypropyl)-(hydroxymethyl)-oxophosphanium (PubChem CID 71340326) has the molecular formula C7H13NO5P+ and a molecular weight of 222.16 g/mol. Its IUPAC name is (3-acetamido-3-carboxypropyl)-(hydroxymethyl)-oxophosphanium.

Molecular Properties

Compound Name(3-acetamido-3-carboxypropyl)-(hydroxymethyl)-oxophosphanium
PubChem CID71340326
Molecular FormulaC7H13NO5P+
Molecular Weight222.16 g/mol
Exact Mass222.05
IUPAC Name(3-acetamido-3-carboxypropyl)-(hydroxymethyl)-oxophosphanium
SMILESCC(=O)NC(CC[P+](=O)CO)C(=O)O
InChIInChI=1S/C7H12NO5P/c1-5(10)8-6(7(11)12)2-3-14(13)4-9/h6,9H,2-4H2,1H3,(H-,8,10,11,12)/p+1
InChIKeyLNNYYSDBYAQDQK-UHFFFAOYSA-O
XLogP-0.26
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.16
LogP ≤ 5-0.26
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

(2R)-2-acetamidopentanedioic acid
CID 161394708
sodium;(2S)-2-acetamidopentanedioic acid;hydride
CID 174759802
2-acetamido-3-hydroxypropanoic acid;sulfane
CID 175323357
2-[[4-[[4-[(4-acetamido-4-carboxybutanoyl)amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 87414279
2-acetamido-4-methyltellanylbutanoic acid
CID 11108931
(2R)-2-acetamido-4-methylsulfanylbutanoic acid
CID 6991987
2,5-diacetamidopentanoic acid
CID 10398396
CID 170843089
CID 170843089
(2S)-2-acetamido-4-sulfobutanoic acid
CID 154303467
2-acetamidotetracosanoic acid
CID 13224380
(2S)-2-acetamido-3-sulfanylpropanoic acid;bis((2R)-2-acetamido-3-sulfanylpropanoic acid)
CID 87596071
tris(2-acetamidobutanedioic acid);phosphane
CID 174666186

Frequently Asked Questions

What is the IUPAC name of (3-acetamido-3-carboxypropyl)-(hydroxymethyl)-oxophosphanium?
The IUPAC name of (3-acetamido-3-carboxypropyl)-(hydroxymethyl)-oxophosphanium (CID 71340326) is (3-acetamido-3-carboxypropyl)-(hydroxymethyl)-oxophosphanium.
What is the SMILES notation for (3-acetamido-3-carboxypropyl)-(hydroxymethyl)-oxophosphanium?
The canonical SMILES for (3-acetamido-3-carboxypropyl)-(hydroxymethyl)-oxophosphanium is CC(=O)NC(CC[P+](=O)CO)C(=O)O.
What is the InChIKey of (3-acetamido-3-carboxypropyl)-(hydroxymethyl)-oxophosphanium?
The InChIKey is LNNYYSDBYAQDQK-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H12NO5P/c1-5(10)8-6(7(11)12)2-3-14(13)4-9/h6,9H,2-4H2,1H3,(H-,8,10,11,12)/p+1.
What are the key properties of (3-acetamido-3-carboxypropyl)-(hydroxymethyl)-oxophosphanium?
(3-acetamido-3-carboxypropyl)-(hydroxymethyl)-oxophosphanium has a molecular weight of 222.16 g/mol, XLogP of -0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-acetamido-3-carboxypropyl)-(hydroxymethyl)-oxophosphanium is sourced from PubChem (CID 71340326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).