1-(3-methoxyphenyl)propan-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

C17H25NO5 — CID 145115605

IUPAC1-(3-methoxyphenyl)propan-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCOc1cccc(CC(C)OC(=O)CNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C17H25NO5/c1-12(9-13-7-6-8-14(10-13)21-5)22-15(19)11-18-16(20)23-17(2,3)4/h6-8,10,12H,9,11H2,1-5H3,(H,18,20)
InChIKeyMGTVKACEEIJWBR-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.69
Rot. Bonds6

About 1-(3-methoxyphenyl)propan-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

1-(3-methoxyphenyl)propan-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (PubChem CID 145115605) has the molecular formula C17H25NO5 and a molecular weight of 323.39 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)propan-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.

Molecular Properties

Compound Name1-(3-methoxyphenyl)propan-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
PubChem CID145115605
Molecular FormulaC17H25NO5
Molecular Weight323.39 g/mol
Exact Mass323.17
IUPAC Name1-(3-methoxyphenyl)propan-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCOc1cccc(CC(C)OC(=O)CNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C17H25NO5/c1-12(9-13-7-6-8-14(10-13)21-5)22-15(19)11-18-16(20)23-17(2,3)4/h6-8,10,12H,9,11H2,1-5H3,(H,18,20)
InChIKeyMGTVKACEEIJWBR-UHFFFAOYSA-N
XLogP2.69
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(3-methoxyphenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 25417738
tert-butyl N-[(3R)-3-hydroxy-4-(3-methoxyphenyl)butyl]carbamate
CID 129406598
ethyl 3-(3-methoxyphenyl)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoate
CID 66582630
tert-butyl N-[1-amino-3-(3-methoxyphenyl)propan-2-yl]carbamate
CID 84730445
tert-butyl N-[(1R)-1-(butylamino)-2-(3-methoxyphenyl)ethyl]carbamate
CID 155138107
tert-butyl N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]carbamate
CID 86673951
tert-butyl 2-[(3-methoxyphenyl)methylamino]acetate
CID 18698419
tert-butyl N-[(2R)-1-[(3-methoxyphenyl)methoxy]propan-2-yl]carbamate
CID 71077122
tert-butyl N-[2-[[4-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]methylamino]-2-oxoethyl]carbamate
CID 108917761
(2R)-3-(3-methoxyphenyl)-2-methylpropanoic acid
CID 42327175
3-(3-butan-2-yloxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 54846455
1-methoxy-3-(2-methoxypropyl)benzene
CID 56987806

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)propan-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The IUPAC name of 1-(3-methoxyphenyl)propan-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (CID 145115605) is 1-(3-methoxyphenyl)propan-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.
What is the SMILES notation for 1-(3-methoxyphenyl)propan-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The canonical SMILES for 1-(3-methoxyphenyl)propan-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is COc1cccc(CC(C)OC(=O)CNC(=O)OC(C)(C)C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)propan-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The InChIKey is MGTVKACEEIJWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO5/c1-12(9-13-7-6-8-14(10-13)21-5)22-15(19)11-18-16(20)23-17(2,3)4/h6-8,10,12H,9,11H2,1-5H3,(H,18,20).
What are the key properties of 1-(3-methoxyphenyl)propan-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
1-(3-methoxyphenyl)propan-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate has a molecular weight of 323.39 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)propan-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is sourced from PubChem (CID 145115605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).