2-amino-5-[hydroxy(methoxy)phosphoryl]pentanoic acid

C6H14NO5P — CID 118218579

IUPAC2-amino-5-[hydroxy(methoxy)phosphoryl]pentanoic acid
SMILESCOP(=O)(O)CCCC(N)C(=O)O
InChIInChI=1S/C6H14NO5P/c1-12-13(10,11)4-2-3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)(H,10,11)
InChIKeyMBAPAMATHCGHCY-UHFFFAOYSA-N
MW211.15 g/mol
LogP0.01
Rot. Bonds6

About 2-amino-5-[hydroxy(methoxy)phosphoryl]pentanoic acid

2-amino-5-[hydroxy(methoxy)phosphoryl]pentanoic acid (PubChem CID 118218579) has the molecular formula C6H14NO5P and a molecular weight of 211.15 g/mol. Its IUPAC name is 2-amino-5-[hydroxy(methoxy)phosphoryl]pentanoic acid.

Molecular Properties

Compound Name2-amino-5-[hydroxy(methoxy)phosphoryl]pentanoic acid
PubChem CID118218579
Molecular FormulaC6H14NO5P
Molecular Weight211.15 g/mol
Exact Mass211.06
IUPAC Name2-amino-5-[hydroxy(methoxy)phosphoryl]pentanoic acid
SMILESCOP(=O)(O)CCCC(N)C(=O)O
InChIInChI=1S/C6H14NO5P/c1-12-13(10,11)4-2-3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)(H,10,11)
InChIKeyMBAPAMATHCGHCY-UHFFFAOYSA-N
XLogP0.01
TPSA109.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.15
LogP ≤ 50.01
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-4-dimethoxyphosphorylbutanoic acid
CID 14607816
[(4R)-4-amino-4-carboxybutyl]-hydroxyphosphinate
CID 24794417
2-amino-5-methoxypentanoic acid
CID 18361135
2-amino-7-[hydroxy(sulfanyloxy)phosphoryl]heptanoic acid
CID 87771343
2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid
CID 4794
2,6-diaminoheptanedioic acid
CID 865
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
sodium;2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;hydride
CID 173033369
(2S)-2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;azane
CID 13034856
(2S)-2,6-diaminohexanoic acid;phosphonomethylphosphonic acid
CID 173046070
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
potassium;2,6-diaminohexanoic acid;hydride;phosphoric acid
CID 173459851

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[hydroxy(methoxy)phosphoryl]pentanoic acid?
The IUPAC name of 2-amino-5-[hydroxy(methoxy)phosphoryl]pentanoic acid (CID 118218579) is 2-amino-5-[hydroxy(methoxy)phosphoryl]pentanoic acid.
What is the SMILES notation for 2-amino-5-[hydroxy(methoxy)phosphoryl]pentanoic acid?
The canonical SMILES for 2-amino-5-[hydroxy(methoxy)phosphoryl]pentanoic acid is COP(=O)(O)CCCC(N)C(=O)O.
What is the InChIKey of 2-amino-5-[hydroxy(methoxy)phosphoryl]pentanoic acid?
The InChIKey is MBAPAMATHCGHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NO5P/c1-12-13(10,11)4-2-3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)(H,10,11).
What are the key properties of 2-amino-5-[hydroxy(methoxy)phosphoryl]pentanoic acid?
2-amino-5-[hydroxy(methoxy)phosphoryl]pentanoic acid has a molecular weight of 211.15 g/mol, XLogP of 0.01, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[hydroxy(methoxy)phosphoryl]pentanoic acid is sourced from PubChem (CID 118218579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).