[(1R)-1-[[(2R)-2-hydroxypropanoyl]amino]ethyl]-methoxyphosphinic acid

C6H14NO5P — CID 10104576

IUPAC[(1R)-1-[[(2R)-2-hydroxypropanoyl]amino]ethyl]-methoxyphosphinic acid
SMILESCOP(=O)(O)[C@H](C)NC(=O)[C@@H](C)O
InChIInChI=1S/C6H14NO5P/c1-4(8)6(9)7-5(2)13(10,11)12-3/h4-5,8H,1-3H3,(H,7,9)(H,10,11)/t4-,5-/m1/s1
InChIKeyWDKSOVZQXJIZAV-RFZPGFLSSA-N
MW211.15 g/mol
LogP-0.34
Rot. Bonds4

About [(1R)-1-[[(2R)-2-hydroxypropanoyl]amino]ethyl]-methoxyphosphinic acid

[(1R)-1-[[(2R)-2-hydroxypropanoyl]amino]ethyl]-methoxyphosphinic acid (PubChem CID 10104576) has the molecular formula C6H14NO5P and a molecular weight of 211.15 g/mol. Its IUPAC name is [(1R)-1-[[(2R)-2-hydroxypropanoyl]amino]ethyl]-methoxyphosphinic acid.

Molecular Properties

Compound Name[(1R)-1-[[(2R)-2-hydroxypropanoyl]amino]ethyl]-methoxyphosphinic acid
PubChem CID10104576
Molecular FormulaC6H14NO5P
Molecular Weight211.15 g/mol
Exact Mass211.06
IUPAC Name[(1R)-1-[[(2R)-2-hydroxypropanoyl]amino]ethyl]-methoxyphosphinic acid
SMILESCOP(=O)(O)[C@H](C)NC(=O)[C@@H](C)O
InChIInChI=1S/C6H14NO5P/c1-4(8)6(9)7-5(2)13(10,11)12-3/h4-5,8H,1-3H3,(H,7,9)(H,10,11)/t4-,5-/m1/s1
InChIKeyWDKSOVZQXJIZAV-RFZPGFLSSA-N
XLogP-0.34
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.15
LogP ≤ 5-0.34
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

methoxy-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid
CID 12074004
tetrasodium;hydride;tetrakis([hydroxy-[hydroxy(methoxy)phosphoryl]methyl]phosphonic acid)
CID 173412667
(2R)-2-hydroxy-N-(3-methylbutan-2-yl)propanamide
CID 131207003
1-[[(2S)-2-aminopropanoyl]amino]ethylphosphonic acid
CID 12757031
methyl 2-(2-hydroxypropanoylamino)-4-methylpentanoate
CID 85353030
2-hydroxy-N-(2-hydroxyethyl)propanamide;phosphoric acid
CID 87238089
methyl 2-dimethoxyphosphorylpropanoate
CID 11019771
methyl (2S)-2-dimethoxyphosphorylpropanoate
CID 124577703
N-[(1S,2R)-1-dimethoxyphosphoryl-2-hydroxy-3-methylbutyl]acetamide
CID 125471797
[(1R)-1-[[(2R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-phosphonooxyoxan-4-yl]oxypropanoyl]amino]ethyl]-methoxyphosphinic acid
CID 10368460
2-hydroxy-N-(3-methoxypropyl)propanamide
CID 43558715
2-[hydroxy(methoxy)phosphoryl]butanedioic acid
CID 19418286

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[[(2R)-2-hydroxypropanoyl]amino]ethyl]-methoxyphosphinic acid?
The IUPAC name of [(1R)-1-[[(2R)-2-hydroxypropanoyl]amino]ethyl]-methoxyphosphinic acid (CID 10104576) is [(1R)-1-[[(2R)-2-hydroxypropanoyl]amino]ethyl]-methoxyphosphinic acid.
What is the SMILES notation for [(1R)-1-[[(2R)-2-hydroxypropanoyl]amino]ethyl]-methoxyphosphinic acid?
The canonical SMILES for [(1R)-1-[[(2R)-2-hydroxypropanoyl]amino]ethyl]-methoxyphosphinic acid is COP(=O)(O)[C@H](C)NC(=O)[C@@H](C)O.
What is the InChIKey of [(1R)-1-[[(2R)-2-hydroxypropanoyl]amino]ethyl]-methoxyphosphinic acid?
The InChIKey is WDKSOVZQXJIZAV-RFZPGFLSSA-N. The full InChI is InChI=1S/C6H14NO5P/c1-4(8)6(9)7-5(2)13(10,11)12-3/h4-5,8H,1-3H3,(H,7,9)(H,10,11)/t4-,5-/m1/s1.
What are the key properties of [(1R)-1-[[(2R)-2-hydroxypropanoyl]amino]ethyl]-methoxyphosphinic acid?
[(1R)-1-[[(2R)-2-hydroxypropanoyl]amino]ethyl]-methoxyphosphinic acid has a molecular weight of 211.15 g/mol, XLogP of -0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[[(2R)-2-hydroxypropanoyl]amino]ethyl]-methoxyphosphinic acid is sourced from PubChem (CID 10104576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).