[(3R)-3,4-diamino-4-oxobutyl]phosphonic acid

C4H11N2O4P — CID 174557406

IUPAC[(3R)-3,4-diamino-4-oxobutyl]phosphonic acid
SMILESNC(=O)[C@H](N)CCP(=O)(O)O
InChIInChI=1S/C4H11N2O4P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H2,6,7)(H2,8,9,10)/t3-/m1/s1
InChIKeyIIMRWYUSKXYJBN-GSVOUGTGSA-N
MW182.12 g/mol
LogP-1.63
Rot. Bonds4

About [(3R)-3,4-diamino-4-oxobutyl]phosphonic acid

[(3R)-3,4-diamino-4-oxobutyl]phosphonic acid (PubChem CID 174557406) has the molecular formula C4H11N2O4P and a molecular weight of 182.12 g/mol. Its IUPAC name is [(3R)-3,4-diamino-4-oxobutyl]phosphonic acid.

Molecular Properties

Compound Name[(3R)-3,4-diamino-4-oxobutyl]phosphonic acid
PubChem CID174557406
Molecular FormulaC4H11N2O4P
Molecular Weight182.12 g/mol
Exact Mass182.05
IUPAC Name[(3R)-3,4-diamino-4-oxobutyl]phosphonic acid
SMILESNC(=O)[C@H](N)CCP(=O)(O)O
InChIInChI=1S/C4H11N2O4P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H2,6,7)(H2,8,9,10)/t3-/m1/s1
InChIKeyIIMRWYUSKXYJBN-GSVOUGTGSA-N
XLogP-1.63
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.12
LogP ≤ 5-1.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-phosphonobutanoate
CID 22605174
[(3R)-3-amino-4-ethoxy-4-oxobutyl]phosphonic acid
CID 95731877
(3-amino-3-hydroxypropyl)phosphonic acid
CID 57001099
(4S)-4,5-diamino-5-oxopentanoic acid
CID 22802675
(4R)-4,5-diamino-5-oxopentanoic acid
CID 5288447
[(3S)-3-amino-4-hydroxybutyl]phosphonic acid
CID 89155767
(3-amino-4-sulfanylbutyl)phosphonic acid
CID 10352382
2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid
CID 4794
3,3-dichloropropylphosphonic acid
CID 91996618
(1-amino-4-phosphonobutyl)phosphonic acid
CID 11075308
(2S)-2-amino-4-[(1-carboxy-3-phosphonopropan-2-yl)-hydroxyphosphoryl]butanoic acid
CID 46197779
sodium;2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;hydride
CID 173033369

Frequently Asked Questions

What is the IUPAC name of [(3R)-3,4-diamino-4-oxobutyl]phosphonic acid?
The IUPAC name of [(3R)-3,4-diamino-4-oxobutyl]phosphonic acid (CID 174557406) is [(3R)-3,4-diamino-4-oxobutyl]phosphonic acid.
What is the SMILES notation for [(3R)-3,4-diamino-4-oxobutyl]phosphonic acid?
The canonical SMILES for [(3R)-3,4-diamino-4-oxobutyl]phosphonic acid is NC(=O)[C@H](N)CCP(=O)(O)O.
What is the InChIKey of [(3R)-3,4-diamino-4-oxobutyl]phosphonic acid?
The InChIKey is IIMRWYUSKXYJBN-GSVOUGTGSA-N. The full InChI is InChI=1S/C4H11N2O4P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H2,6,7)(H2,8,9,10)/t3-/m1/s1.
What are the key properties of [(3R)-3,4-diamino-4-oxobutyl]phosphonic acid?
[(3R)-3,4-diamino-4-oxobutyl]phosphonic acid has a molecular weight of 182.12 g/mol, XLogP of -1.63, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3,4-diamino-4-oxobutyl]phosphonic acid is sourced from PubChem (CID 174557406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).