[(4R)-4-amino-4-carboxybutyl]-hydroxyphosphinate

C5H11NO5P- — CID 24794417

IUPAC[(4R)-4-amino-4-carboxybutyl]-hydroxyphosphinate
SMILESN[C@H](CCCP(=O)([O-])O)C(=O)O
InChIInChI=1S/C5H12NO5P/c6-4(5(7)8)2-1-3-12(9,10)11/h4H,1-3,6H2,(H,7,8)(H2,9,10,11)/p-1/t4-/m1/s1
InChIKeyVOROEQBFPPIACJ-SCSAIBSYSA-M
MW196.12 g/mol
LogP-1.28
Rot. Bonds5

About [(4R)-4-amino-4-carboxybutyl]-hydroxyphosphinate

[(4R)-4-amino-4-carboxybutyl]-hydroxyphosphinate (PubChem CID 24794417) has the molecular formula C5H11NO5P- and a molecular weight of 196.12 g/mol. Its IUPAC name is [(4R)-4-amino-4-carboxybutyl]-hydroxyphosphinate.

Molecular Properties

Compound Name[(4R)-4-amino-4-carboxybutyl]-hydroxyphosphinate
PubChem CID24794417
Molecular FormulaC5H11NO5P-
Molecular Weight196.12 g/mol
Exact Mass196.04
IUPAC Name[(4R)-4-amino-4-carboxybutyl]-hydroxyphosphinate
SMILESN[C@H](CCCP(=O)([O-])O)C(=O)O
InChIInChI=1S/C5H12NO5P/c6-4(5(7)8)2-1-3-12(9,10)11/h4H,1-3,6H2,(H,7,8)(H2,9,10,11)/p-1/t4-/m1/s1
InChIKeyVOROEQBFPPIACJ-SCSAIBSYSA-M
XLogP-1.28
TPSA123.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.12
LogP ≤ 5-1.28
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

2-amino-5-[hydroxy(methoxy)phosphoryl]pentanoic acid
CID 118218579
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
2,6-diaminoheptanedioic acid
CID 865
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid
CID 4794
potassium;2,6-diaminohexanoic acid;hydride;phosphoric acid
CID 173459851
2-amino-7-[hydroxy(sulfanyloxy)phosphoryl]heptanoic acid
CID 87771343
trisodium;tris((2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid);phosphate
CID 173326115
potassium;2,6-diaminohexanoic acid;phosphono hydrogen phosphate
CID 88835534
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
sodium;2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;hydride
CID 173033369
(2S)-2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;azane
CID 13034856

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-amino-4-carboxybutyl]-hydroxyphosphinate?
The IUPAC name of [(4R)-4-amino-4-carboxybutyl]-hydroxyphosphinate (CID 24794417) is [(4R)-4-amino-4-carboxybutyl]-hydroxyphosphinate.
What is the SMILES notation for [(4R)-4-amino-4-carboxybutyl]-hydroxyphosphinate?
The canonical SMILES for [(4R)-4-amino-4-carboxybutyl]-hydroxyphosphinate is N[C@H](CCCP(=O)([O-])O)C(=O)O.
What is the InChIKey of [(4R)-4-amino-4-carboxybutyl]-hydroxyphosphinate?
The InChIKey is VOROEQBFPPIACJ-SCSAIBSYSA-M. The full InChI is InChI=1S/C5H12NO5P/c6-4(5(7)8)2-1-3-12(9,10)11/h4H,1-3,6H2,(H,7,8)(H2,9,10,11)/p-1/t4-/m1/s1.
What are the key properties of [(4R)-4-amino-4-carboxybutyl]-hydroxyphosphinate?
[(4R)-4-amino-4-carboxybutyl]-hydroxyphosphinate has a molecular weight of 196.12 g/mol, XLogP of -1.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-amino-4-carboxybutyl]-hydroxyphosphinate is sourced from PubChem (CID 24794417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).