2-aminobutanoyl(trihydroxy)phosphanium

C4H11NO4P+ — CID 91357159

IUPAC2-aminobutanoyl(trihydroxy)phosphanium
SMILESCCC(N)C(=O)[P+](O)(O)O
InChIInChI=1S/C4H11NO4P/c1-2-3(5)4(6)10(7,8)9/h3,7-9H,2,5H2,1H3/q+1
InChIKeyYNALMQKZGVJTJN-UHFFFAOYSA-N
MW168.11 g/mol
LogP-1.01
Rot. Bonds3

About 2-aminobutanoyl(trihydroxy)phosphanium

2-aminobutanoyl(trihydroxy)phosphanium (PubChem CID 91357159) has the molecular formula C4H11NO4P+ and a molecular weight of 168.11 g/mol. Its IUPAC name is 2-aminobutanoyl(trihydroxy)phosphanium.

Molecular Properties

Compound Name2-aminobutanoyl(trihydroxy)phosphanium
PubChem CID91357159
Molecular FormulaC4H11NO4P+
Molecular Weight168.11 g/mol
Exact Mass168.04
IUPAC Name2-aminobutanoyl(trihydroxy)phosphanium
SMILESCCC(N)C(=O)[P+](O)(O)O
InChIInChI=1S/C4H11NO4P/c1-2-3(5)4(6)10(7,8)9/h3,7-9H,2,5H2,1H3/q+1
InChIKeyYNALMQKZGVJTJN-UHFFFAOYSA-N
XLogP-1.01
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.11
LogP ≤ 5-1.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-aminobutanamide;hydrochloride
CID 14333659
2-aminobutanoic acid;ethane
CID 90764297
aluminum 2-aminobutanoic acid
CID 19792235
2-aminobutanoic acid;sulfane
CID 162128083
acetic acid;(2R)-2-aminobutanoic acid
CID 87105922
(2S)-2-amino-N-tert-butylbutanamide
CID 79025313
2-amino-N,N-dimethylbutanamide
CID 43649466
(2R)-2-amino-N-methylbutanamide
CID 14888796
bis(methyl (2S)-2-aminobutanoate);dihydrochloride
CID 174939060
3-amino-2-methylidenepentanoic acid
CID 23312012
sodium;(2S)-2-aminobutanamide;hydride;hydrochloride
CID 174916391
2-aminobutanoic acid;butanediamide
CID 87949418

Frequently Asked Questions

What is the IUPAC name of 2-aminobutanoyl(trihydroxy)phosphanium?
The IUPAC name of 2-aminobutanoyl(trihydroxy)phosphanium (CID 91357159) is 2-aminobutanoyl(trihydroxy)phosphanium.
What is the SMILES notation for 2-aminobutanoyl(trihydroxy)phosphanium?
The canonical SMILES for 2-aminobutanoyl(trihydroxy)phosphanium is CCC(N)C(=O)[P+](O)(O)O.
What is the InChIKey of 2-aminobutanoyl(trihydroxy)phosphanium?
The InChIKey is YNALMQKZGVJTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO4P/c1-2-3(5)4(6)10(7,8)9/h3,7-9H,2,5H2,1H3/q+1.
What are the key properties of 2-aminobutanoyl(trihydroxy)phosphanium?
2-aminobutanoyl(trihydroxy)phosphanium has a molecular weight of 168.11 g/mol, XLogP of -1.01, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobutanoyl(trihydroxy)phosphanium is sourced from PubChem (CID 91357159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).