ethyl 2-(4-methoxy-N-[(2R,3R)-3-methyloxirane-2-carbonyl]anilino)acetate

C15H19NO5 — CID 11109132

IUPACethyl 2-(4-methoxy-N-[(2R,3R)-3-methyloxirane-2-carbonyl]anilino)acetate
SMILESCCOC(=O)CN(C(=O)[C@@H]1O[C@@H]1C)c1ccc(OC)cc1
InChIInChI=1S/C15H19NO5/c1-4-20-13(17)9-16(15(18)14-10(2)21-14)11-5-7-12(19-3)8-6-11/h5-8,10,14H,4,9H2,1-3H3/t10-,14-/m1/s1
InChIKeyCWDUKZSPSCIKQQ-QMTHXVAHSA-N
MW293.32 g/mol
LogP1.38
Rot. Bonds6

About ethyl 2-(4-methoxy-N-[(2R,3R)-3-methyloxirane-2-carbonyl]anilino)acetate

ethyl 2-(4-methoxy-N-[(2R,3R)-3-methyloxirane-2-carbonyl]anilino)acetate (PubChem CID 11109132) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is ethyl 2-(4-methoxy-N-[(2R,3R)-3-methyloxirane-2-carbonyl]anilino)acetate.

Molecular Properties

Compound Nameethyl 2-(4-methoxy-N-[(2R,3R)-3-methyloxirane-2-carbonyl]anilino)acetate
PubChem CID11109132
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Nameethyl 2-(4-methoxy-N-[(2R,3R)-3-methyloxirane-2-carbonyl]anilino)acetate
SMILESCCOC(=O)CN(C(=O)[C@@H]1O[C@@H]1C)c1ccc(OC)cc1
InChIInChI=1S/C15H19NO5/c1-4-20-13(17)9-16(15(18)14-10(2)21-14)11-5-7-12(19-3)8-6-11/h5-8,10,14H,4,9H2,1-3H3/t10-,14-/m1/s1
InChIKeyCWDUKZSPSCIKQQ-QMTHXVAHSA-N
XLogP1.38
TPSA68.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2-(4-methoxyanilino)pent-4-enoate
CID 11807040
2-(2-(4-(4-Methoxyphenyl)piperazin-1-yl)-2-oxoethoxy)acetic acid
CID 762521
[2-(4-Ethoxyanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7728022
(5R)-5-(methoxymethyl)-3-[4-(3-oxobutoxy)phenyl]-1,3-oxazolidin-2-one
CID 18646211
1-(2,6-Dimethylmorpholin-4-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one;oxalic acid
CID 16196343
Ethyl [4-(2-methoxyphenyl)-1-piperazinyl](oxo)acetate
CID 2168621
2-Oxazolidinone, 5-(methoxymethyl)-3-(4-(3-oxobutoxy)phenyl)-
CID 3061365
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyloxolane-2-carboxamide
CID 25161483
N-(2-ethoxyethyl)-2-methoxy-N-(3-methoxyphenyl)acetamide
CID 658435
[2-[4-(Difluoromethoxy)anilino]-2-oxoethyl] pentanoate
CID 2368608
ethyl (2-ethyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate
CID 3235966
2-[Acetyl-(4-methoxy-phenyl)-amino]-propionic acid
CID 12390789

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methoxy-N-[(2R,3R)-3-methyloxirane-2-carbonyl]anilino)acetate?
The IUPAC name of ethyl 2-(4-methoxy-N-[(2R,3R)-3-methyloxirane-2-carbonyl]anilino)acetate (CID 11109132) is ethyl 2-(4-methoxy-N-[(2R,3R)-3-methyloxirane-2-carbonyl]anilino)acetate.
What is the SMILES notation for ethyl 2-(4-methoxy-N-[(2R,3R)-3-methyloxirane-2-carbonyl]anilino)acetate?
The canonical SMILES for ethyl 2-(4-methoxy-N-[(2R,3R)-3-methyloxirane-2-carbonyl]anilino)acetate is CCOC(=O)CN(C(=O)[C@@H]1O[C@@H]1C)c1ccc(OC)cc1.
What is the InChIKey of ethyl 2-(4-methoxy-N-[(2R,3R)-3-methyloxirane-2-carbonyl]anilino)acetate?
The InChIKey is CWDUKZSPSCIKQQ-QMTHXVAHSA-N. The full InChI is InChI=1S/C15H19NO5/c1-4-20-13(17)9-16(15(18)14-10(2)21-14)11-5-7-12(19-3)8-6-11/h5-8,10,14H,4,9H2,1-3H3/t10-,14-/m1/s1.
What are the key properties of ethyl 2-(4-methoxy-N-[(2R,3R)-3-methyloxirane-2-carbonyl]anilino)acetate?
ethyl 2-(4-methoxy-N-[(2R,3R)-3-methyloxirane-2-carbonyl]anilino)acetate has a molecular weight of 293.32 g/mol, XLogP of 1.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methoxy-N-[(2R,3R)-3-methyloxirane-2-carbonyl]anilino)acetate is sourced from PubChem (CID 11109132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).