[(4S)-1,4-diamino-3-oxopentyl]phosphonic acid

C5H13N2O4P — CID 148549360

IUPAC[(4S)-1,4-diamino-3-oxopentyl]phosphonic acid
SMILESC[C@H](N)C(=O)CC(N)P(=O)(O)O
InChIInChI=1S/C5H13N2O4P/c1-3(6)4(8)2-5(7)12(9,10)11/h3,5H,2,6-7H2,1H3,(H2,9,10,11)/t3-,5?/m0/s1
InChIKeyLBWMLGFJJRXJNK-WWLRPLJCSA-N
MW196.14 g/mol
LogP-1.24
Rot. Bonds4

About [(4S)-1,4-diamino-3-oxopentyl]phosphonic acid

[(4S)-1,4-diamino-3-oxopentyl]phosphonic acid (PubChem CID 148549360) has the molecular formula C5H13N2O4P and a molecular weight of 196.14 g/mol. Its IUPAC name is [(4S)-1,4-diamino-3-oxopentyl]phosphonic acid.

Molecular Properties

Compound Name[(4S)-1,4-diamino-3-oxopentyl]phosphonic acid
PubChem CID148549360
Molecular FormulaC5H13N2O4P
Molecular Weight196.14 g/mol
Exact Mass196.06
IUPAC Name[(4S)-1,4-diamino-3-oxopentyl]phosphonic acid
SMILESC[C@H](N)C(=O)CC(N)P(=O)(O)O
InChIInChI=1S/C5H13N2O4P/c1-3(6)4(8)2-5(7)12(9,10)11/h3,5H,2,6-7H2,1H3,(H2,9,10,11)/t3-,5?/m0/s1
InChIKeyLBWMLGFJJRXJNK-WWLRPLJCSA-N
XLogP-1.24
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.14
LogP ≤ 5-1.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[bis[(2S)-2-aminopropanoyl]amino]methylphosphonic acid
CID 87262460
[(1S)-1-aminopropyl]phosphonic acid
CID 6994862
[4-amino-3-oxo-1-(phenylmethoxycarbonylamino)pentyl]phosphonic acid
CID 23506654
1,3-diaminobutan-2-one
CID 18683672
2-aminopentan-3-one
CID 10986165
methyl (5R)-5-amino-2-hydroxy-4-oxohexanoate
CID 174417154
[(1S)-1-amino-3-hydroxypentyl]phosphonic acid
CID 15348708
[(4R)-4-amino-3-oxopentan-2-yl]phosphonic acid
CID 14541313
[(1R)-1-aminoethyl]phosphonic acid;hydrochloride
CID 88516256
[(2R)-2-aminopropyl]phosphonic acid
CID 92524852
aminophosphonic acid;(2R)-2-aminopropanoic acid
CID 118047649
4-amino-3-oxopentanoic acid
CID 134247354

Frequently Asked Questions

What is the IUPAC name of [(4S)-1,4-diamino-3-oxopentyl]phosphonic acid?
The IUPAC name of [(4S)-1,4-diamino-3-oxopentyl]phosphonic acid (CID 148549360) is [(4S)-1,4-diamino-3-oxopentyl]phosphonic acid.
What is the SMILES notation for [(4S)-1,4-diamino-3-oxopentyl]phosphonic acid?
The canonical SMILES for [(4S)-1,4-diamino-3-oxopentyl]phosphonic acid is C[C@H](N)C(=O)CC(N)P(=O)(O)O.
What is the InChIKey of [(4S)-1,4-diamino-3-oxopentyl]phosphonic acid?
The InChIKey is LBWMLGFJJRXJNK-WWLRPLJCSA-N. The full InChI is InChI=1S/C5H13N2O4P/c1-3(6)4(8)2-5(7)12(9,10)11/h3,5H,2,6-7H2,1H3,(H2,9,10,11)/t3-,5?/m0/s1.
What are the key properties of [(4S)-1,4-diamino-3-oxopentyl]phosphonic acid?
[(4S)-1,4-diamino-3-oxopentyl]phosphonic acid has a molecular weight of 196.14 g/mol, XLogP of -1.24, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-1,4-diamino-3-oxopentyl]phosphonic acid is sourced from PubChem (CID 148549360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).