[(1S)-1-carboxyethyl]imino-(3-methoxyphenoxy)-oxidophosphanium

C10H12NO5P — CID 175994567

IUPAC[(1S)-1-carboxyethyl]imino-(3-methoxyphenoxy)-oxidophosphanium
SMILESCOc1cccc(O/[P+]([O-])=N/[C@@H](C)C(=O)O)c1
InChIInChI=1S/C10H12NO5P/c1-7(10(12)13)11-17(14)16-9-5-3-4-8(6-9)15-2/h3-7H,1-2H3,(H,12,13)/t7-/m0/s1
InChIKeyNNPGDNCXXLPBFM-ZETCQYMHSA-N
MW257.18 g/mol
LogP1.40
Rot. Bonds5

About [(1S)-1-carboxyethyl]imino-(3-methoxyphenoxy)-oxidophosphanium

[(1S)-1-carboxyethyl]imino-(3-methoxyphenoxy)-oxidophosphanium (PubChem CID 175994567) has the molecular formula C10H12NO5P and a molecular weight of 257.18 g/mol. Its IUPAC name is [(1S)-1-carboxyethyl]imino-(3-methoxyphenoxy)-oxidophosphanium.

Molecular Properties

Compound Name[(1S)-1-carboxyethyl]imino-(3-methoxyphenoxy)-oxidophosphanium
PubChem CID175994567
Molecular FormulaC10H12NO5P
Molecular Weight257.18 g/mol
Exact Mass257.05
IUPAC Name[(1S)-1-carboxyethyl]imino-(3-methoxyphenoxy)-oxidophosphanium
SMILESCOc1cccc(O/[P+]([O-])=N/[C@@H](C)C(=O)O)c1
InChIInChI=1S/C10H12NO5P/c1-7(10(12)13)11-17(14)16-9-5-3-4-8(6-9)15-2/h3-7H,1-2H3,(H,12,13)/t7-/m0/s1
InChIKeyNNPGDNCXXLPBFM-ZETCQYMHSA-N
XLogP1.40
TPSA91.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.18
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(1S)-1-carboxyethyl]imino-(3-methoxyphenoxy)-oxidophosphanium 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

2,2-bis(3-methoxyphenyl)acetic acid
CID 67016131
2-hydroxy-3-(3-methoxyphenoxy)propanoic acid
CID 105465737
2-(3-methoxyphenyl)-3-nitroso-3-oxopropanoic acid
CID 129239099
2-[2-(3-methoxyphenoxy)propanoylamino]propanoic acid
CID 53264145
(2R)-3-(3-methoxyphenyl)-2-methylpropanoic acid
CID 42327175
3-fluoro-2-(3-methoxyphenyl)butanoic acid
CID 105465777
2-(3-methoxyphenyl)-3-phenylbutanoic acid
CID 82140167
azane;1,3-dimethoxybenzene
CID 70210283
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
CID 172849383
CID 172849383
ethane;(3-methoxyphenyl) methyl carbonate
CID 91439212
3-fluoro-3-(3-methoxyphenyl)-2-methylpropanoic acid
CID 105465807

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-carboxyethyl]imino-(3-methoxyphenoxy)-oxidophosphanium?
The IUPAC name of [(1S)-1-carboxyethyl]imino-(3-methoxyphenoxy)-oxidophosphanium (CID 175994567) is [(1S)-1-carboxyethyl]imino-(3-methoxyphenoxy)-oxidophosphanium.
What is the SMILES notation for [(1S)-1-carboxyethyl]imino-(3-methoxyphenoxy)-oxidophosphanium?
The canonical SMILES for [(1S)-1-carboxyethyl]imino-(3-methoxyphenoxy)-oxidophosphanium is COc1cccc(O/[P+]([O-])=N/[C@@H](C)C(=O)O)c1.
What is the InChIKey of [(1S)-1-carboxyethyl]imino-(3-methoxyphenoxy)-oxidophosphanium?
The InChIKey is NNPGDNCXXLPBFM-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12NO5P/c1-7(10(12)13)11-17(14)16-9-5-3-4-8(6-9)15-2/h3-7H,1-2H3,(H,12,13)/t7-/m0/s1.
What are the key properties of [(1S)-1-carboxyethyl]imino-(3-methoxyphenoxy)-oxidophosphanium?
[(1S)-1-carboxyethyl]imino-(3-methoxyphenoxy)-oxidophosphanium has a molecular weight of 257.18 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-carboxyethyl]imino-(3-methoxyphenoxy)-oxidophosphanium is sourced from PubChem (CID 175994567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).