methoxy-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid

C11H16NO5P — CID 12074004

IUPACmethoxy-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid
SMILESCOP(=O)(O)[C@H](C)NC(=O)OCc1ccccc1
InChIInChI=1S/C11H16NO5P/c1-9(18(14,15)16-2)12-11(13)17-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,12,13)(H,14,15)/t9-/m1/s1
InChIKeyLKFYLGJTOQMUQN-SECBINFHSA-N
MW273.22 g/mol
LogP2.09
Rot. Bonds5

About methoxy-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid

methoxy-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid (PubChem CID 12074004) has the molecular formula C11H16NO5P and a molecular weight of 273.22 g/mol. Its IUPAC name is methoxy-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid.

Molecular Properties

Compound Namemethoxy-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid
PubChem CID12074004
Molecular FormulaC11H16NO5P
Molecular Weight273.22 g/mol
Exact Mass273.08
IUPAC Namemethoxy-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid
SMILESCOP(=O)(O)[C@H](C)NC(=O)OCc1ccccc1
InChIInChI=1S/C11H16NO5P/c1-9(18(14,15)16-2)12-11(13)17-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,12,13)(H,14,15)/t9-/m1/s1
InChIKeyLKFYLGJTOQMUQN-SECBINFHSA-N
XLogP2.09
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.22
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methoxy-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methoxy-[2,2,2-trifluoro-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid
CID 11824259
[2-methyl-1-(phenylmethoxycarbonylamino)propyl]phosphonic acid
CID 12524618
methyl 2-dimethoxyphosphoryl-2-(phenylmethoxycarbonylamino)acetate
CID 2734718
benzyl N-[(2S)-1-[[(2S)-1-[[(1R)-1-dimethoxyphosphorylethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 54326340
methoxy-[3-phenyl-2-(phenylmethoxycarbonylamino)propyl]phosphinic acid
CID 23213402
methyl (3R)-2-oxo-3-(phenylmethoxycarbonylamino)butanoate
CID 58773464
methyl (2S,3R)-3-[hydroxy(methoxy)phosphoryl]oxy-2-(phenylmethoxycarbonylamino)butanoate
CID 162415252
(2S)-2-[hydroxy-[(1R)-1-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]ethyl]phosphoryl]oxy-3-phenylpropanoic acid
CID 5492457
benzyl N-[(1S)-1-dimethoxyphosphorylpropyl]carbamate
CID 101044856
benzyl N-[[methoxy(methyl)phosphoryl]-phenylmethyl]carbamate
CID 134104684
benzyl N-(1-dimethoxyphosphoryl-2-oxo-2-phenylethyl)carbamate
CID 102190004
methyl 3-methyl-2-(phenylmethoxycarbonylamino)butanoate
CID 12675847

Frequently Asked Questions

What is the IUPAC name of methoxy-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid?
The IUPAC name of methoxy-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid (CID 12074004) is methoxy-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid.
What is the SMILES notation for methoxy-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid?
The canonical SMILES for methoxy-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid is COP(=O)(O)[C@H](C)NC(=O)OCc1ccccc1.
What is the InChIKey of methoxy-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid?
The InChIKey is LKFYLGJTOQMUQN-SECBINFHSA-N. The full InChI is InChI=1S/C11H16NO5P/c1-9(18(14,15)16-2)12-11(13)17-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,12,13)(H,14,15)/t9-/m1/s1.
What are the key properties of methoxy-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid?
methoxy-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid has a molecular weight of 273.22 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid is sourced from PubChem (CID 12074004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).