methyl 3-[3-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoate

C16H23NO5 — CID 68843601

IUPACmethyl 3-[3-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoate
SMILESCOC(=O)CCc1cc(NC(=O)OC(C)(C)C)cc(OC)c1
InChIInChI=1S/C16H23NO5/c1-16(2,3)22-15(19)17-12-8-11(6-7-14(18)21-5)9-13(10-12)20-4/h8-10H,6-7H2,1-5H3,(H,17,19)
InChIKeyAGKZCZPZSNVGCV-UHFFFAOYSA-N
MW309.36 g/mol
LogP3.15
Rot. Bonds5

About methyl 3-[3-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoate

methyl 3-[3-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoate (PubChem CID 68843601) has the molecular formula C16H23NO5 and a molecular weight of 309.36 g/mol. Its IUPAC name is methyl 3-[3-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[3-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoate
PubChem CID68843601
Molecular FormulaC16H23NO5
Molecular Weight309.36 g/mol
Exact Mass309.16
IUPAC Namemethyl 3-[3-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoate
SMILESCOC(=O)CCc1cc(NC(=O)OC(C)(C)C)cc(OC)c1
InChIInChI=1S/C16H23NO5/c1-16(2,3)22-15(19)17-12-8-11(6-7-14(18)21-5)9-13(10-12)20-4/h8-10H,6-7H2,1-5H3,(H,17,19)
InChIKeyAGKZCZPZSNVGCV-UHFFFAOYSA-N
XLogP3.15
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[3-methoxy-5-(propoxymethyl)phenyl]carbamate
CID 175379574
[3-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] methanesulfonate
CID 90159633
methyl 3-(3-fluoro-5-methoxyphenyl)propanoate
CID 68895290
methyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]propanoate
CID 22063539
methyl 3-[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]phenyl]propanoate
CID 173140306
methyl 3-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]propanoate
CID 141484453
tert-butyl N-[(3,5-dimethoxyphenyl)methyl]carbamate
CID 134964726
methyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetate
CID 53401501
tert-butyl 3-(4-methoxyphenyl)propanoate
CID 63896650
methyl 3-[3,4-bis[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]propanoate
CID 135022691
methyl 3-(3,5-dimethoxyanilino)propanoate
CID 12903398
tert-butyl N-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 123753749

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoate?
The IUPAC name of methyl 3-[3-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoate (CID 68843601) is methyl 3-[3-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoate.
What is the SMILES notation for methyl 3-[3-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoate?
The canonical SMILES for methyl 3-[3-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoate is COC(=O)CCc1cc(NC(=O)OC(C)(C)C)cc(OC)c1.
What is the InChIKey of methyl 3-[3-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoate?
The InChIKey is AGKZCZPZSNVGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO5/c1-16(2,3)22-15(19)17-12-8-11(6-7-14(18)21-5)9-13(10-12)20-4/h8-10H,6-7H2,1-5H3,(H,17,19).
What are the key properties of methyl 3-[3-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoate?
methyl 3-[3-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoate has a molecular weight of 309.36 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoate is sourced from PubChem (CID 68843601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).