[(4R)-4-amino-3-oxopentan-2-yl]phosphonic acid

C5H12NO4P — CID 14541313

IUPAC[(4R)-4-amino-3-oxopentan-2-yl]phosphonic acid
SMILESCC(C(=O)[C@@H](C)N)P(=O)(O)O
InChIInChI=1S/C5H12NO4P/c1-3(6)5(7)4(2)11(8,9)10/h3-4H,6H2,1-2H3,(H2,8,9,10)/t3-,4?/m1/s1
InChIKeyRXRNKLJYJYGRQG-SYPWQXSBSA-N
MW181.13 g/mol
LogP-0.53
Rot. Bonds3

About [(4R)-4-amino-3-oxopentan-2-yl]phosphonic acid

[(4R)-4-amino-3-oxopentan-2-yl]phosphonic acid (PubChem CID 14541313) has the molecular formula C5H12NO4P and a molecular weight of 181.13 g/mol. Its IUPAC name is [(4R)-4-amino-3-oxopentan-2-yl]phosphonic acid.

Molecular Properties

Compound Name[(4R)-4-amino-3-oxopentan-2-yl]phosphonic acid
PubChem CID14541313
Molecular FormulaC5H12NO4P
Molecular Weight181.13 g/mol
Exact Mass181.05
IUPAC Name[(4R)-4-amino-3-oxopentan-2-yl]phosphonic acid
SMILESCC(C(=O)[C@@H](C)N)P(=O)(O)O
InChIInChI=1S/C5H12NO4P/c1-3(6)5(7)4(2)11(8,9)10/h3-4H,6H2,1-2H3,(H2,8,9,10)/t3-,4?/m1/s1
InChIKeyRXRNKLJYJYGRQG-SYPWQXSBSA-N
XLogP-0.53
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.13
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(1R)-1-aminoethyl]phosphonic acid;hydrochloride
CID 88516256
aminophosphonic acid;(2R)-2-aminopropanoic acid
CID 118047649
[(4S)-1,4-diamino-3-oxopentyl]phosphonic acid
CID 148549360
1-[[(2S)-2-aminopropanoyl]amino]ethylphosphonic acid
CID 12757031
[bis[(2S)-2-aminopropanoyl]amino]methylphosphonic acid
CID 87262460
dihydrogen phosphate;tetramethylphosphanium
CID 71359633
[(2R)-2-aminopropyl]phosphonic acid
CID 92524852
[(1R)-1-[[(2S)-2-aminopropanoyl]amino]-1-deuterioethyl]phosphonic acid
CID 131888538
(2S)-2-aminopropanoic acid
CID 18446182
(2S)-2-aminopropanoic acid
CID 5950
(2R)-2-aminopropanoic acid
CID 18611140
2-amino-2-phosphonoacetic acid
CID 14104870

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-amino-3-oxopentan-2-yl]phosphonic acid?
The IUPAC name of [(4R)-4-amino-3-oxopentan-2-yl]phosphonic acid (CID 14541313) is [(4R)-4-amino-3-oxopentan-2-yl]phosphonic acid.
What is the SMILES notation for [(4R)-4-amino-3-oxopentan-2-yl]phosphonic acid?
The canonical SMILES for [(4R)-4-amino-3-oxopentan-2-yl]phosphonic acid is CC(C(=O)[C@@H](C)N)P(=O)(O)O.
What is the InChIKey of [(4R)-4-amino-3-oxopentan-2-yl]phosphonic acid?
The InChIKey is RXRNKLJYJYGRQG-SYPWQXSBSA-N. The full InChI is InChI=1S/C5H12NO4P/c1-3(6)5(7)4(2)11(8,9)10/h3-4H,6H2,1-2H3,(H2,8,9,10)/t3-,4?/m1/s1.
What are the key properties of [(4R)-4-amino-3-oxopentan-2-yl]phosphonic acid?
[(4R)-4-amino-3-oxopentan-2-yl]phosphonic acid has a molecular weight of 181.13 g/mol, XLogP of -0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-amino-3-oxopentan-2-yl]phosphonic acid is sourced from PubChem (CID 14541313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).