ethyl (2S)-2-[[chloro(methoxymethyl)phosphoryl]amino]propanoate

C7H15ClNO4P — CID 130324026

IUPACethyl (2S)-2-[[chloro(methoxymethyl)phosphoryl]amino]propanoate
SMILESCCOC(=O)[C@H](C)NP(=O)(Cl)COC
InChIInChI=1S/C7H15ClNO4P/c1-4-13-7(10)6(2)9-14(8,11)5-12-3/h6H,4-5H2,1-3H3,(H,9,11)/t6-,14?/m0/s1
InChIKeyGVJUOLLUBALRPQ-TZKMECQKSA-N
MW243.63 g/mol
LogP1.56
Rot. Bonds6

About ethyl (2S)-2-[[chloro(methoxymethyl)phosphoryl]amino]propanoate

ethyl (2S)-2-[[chloro(methoxymethyl)phosphoryl]amino]propanoate (PubChem CID 130324026) has the molecular formula C7H15ClNO4P and a molecular weight of 243.63 g/mol. Its IUPAC name is ethyl (2S)-2-[[chloro(methoxymethyl)phosphoryl]amino]propanoate.

Molecular Properties

Compound Nameethyl (2S)-2-[[chloro(methoxymethyl)phosphoryl]amino]propanoate
PubChem CID130324026
Molecular FormulaC7H15ClNO4P
Molecular Weight243.63 g/mol
Exact Mass243.04
IUPAC Nameethyl (2S)-2-[[chloro(methoxymethyl)phosphoryl]amino]propanoate
SMILESCCOC(=O)[C@H](C)NP(=O)(Cl)COC
InChIInChI=1S/C7H15ClNO4P/c1-4-13-7(10)6(2)9-14(8,11)5-12-3/h6H,4-5H2,1-3H3,(H,9,11)/t6-,14?/m0/s1
InChIKeyGVJUOLLUBALRPQ-TZKMECQKSA-N
XLogP1.56
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.63
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl (2S)-2-[[chloro(methoxymethyl)phosphoryl]amino]propanoate 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

ethyl 2-[[dimethyl(methylimino)-λ5-phosphanyl]amino]propanoate
CID 58445974
ethyl 2-[[dimethyl(methylimino)-λ5-phosphanyl]amino]propanoate;methane
CID 161235723
ethyl (2R)-2-(methylamino)propanoate;hydrochloride
CID 138987649
ethyl (2S)-2-(propan-2-ylamino)propanoate
CID 45086712
ethyl 2-(fluoroamino)propanoate
CID 89108988
(1-ethoxy-1-oxopropan-2-yl)carbamic acid
CID 58928687
ethyl 2-[[[(1-ethoxy-1-oxopropan-2-yl)amino]-methylphosphoryl]amino]hexanoate
CID 59796220
ethyl (2S)-2-[[(4-chlorophenoxy)-methylphosphoryl]amino]propanoate
CID 59483411
ethyl (2R)-2-[[chloro-[2-(3-methoxy-3-oxopropyl)phenoxy]phosphoryl]amino]propanoate
CID 87527133
ethyl (2S)-2-acetamidopropanoate
CID 11805045
ethyl 2-[[2-methylpropyl(phenoxy)phosphoryl]amino]propanoate
CID 134359855
ethyl 2-[[chloro-[1-(4-hydroxyphenyl)ethyl]-methylidene-λ5-phosphanyl]amino]propanoate
CID 134379114

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-[[chloro(methoxymethyl)phosphoryl]amino]propanoate?
The IUPAC name of ethyl (2S)-2-[[chloro(methoxymethyl)phosphoryl]amino]propanoate (CID 130324026) is ethyl (2S)-2-[[chloro(methoxymethyl)phosphoryl]amino]propanoate.
What is the SMILES notation for ethyl (2S)-2-[[chloro(methoxymethyl)phosphoryl]amino]propanoate?
The canonical SMILES for ethyl (2S)-2-[[chloro(methoxymethyl)phosphoryl]amino]propanoate is CCOC(=O)[C@H](C)NP(=O)(Cl)COC.
What is the InChIKey of ethyl (2S)-2-[[chloro(methoxymethyl)phosphoryl]amino]propanoate?
The InChIKey is GVJUOLLUBALRPQ-TZKMECQKSA-N. The full InChI is InChI=1S/C7H15ClNO4P/c1-4-13-7(10)6(2)9-14(8,11)5-12-3/h6H,4-5H2,1-3H3,(H,9,11)/t6-,14?/m0/s1.
What are the key properties of ethyl (2S)-2-[[chloro(methoxymethyl)phosphoryl]amino]propanoate?
ethyl (2S)-2-[[chloro(methoxymethyl)phosphoryl]amino]propanoate has a molecular weight of 243.63 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-[[chloro(methoxymethyl)phosphoryl]amino]propanoate is sourced from PubChem (CID 130324026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).