methyl 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate

C16H23NO4 — CID 14200640

IUPACmethyl 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
SMILESCOC(=O)C(C)N(Cc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H23NO4/c1-12(14(18)20-5)17(15(19)21-16(2,3)4)11-13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3
InChIKeySTGJQKUVJNDRAU-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.99
Rot. Bonds4

About methyl 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate

methyl 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate (PubChem CID 14200640) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is methyl 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
PubChem CID14200640
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Namemethyl 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
SMILESCOC(=O)C(C)N(Cc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H23NO4/c1-12(14(18)20-5)17(15(19)21-16(2,3)4)11-13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3
InChIKeySTGJQKUVJNDRAU-UHFFFAOYSA-N
XLogP2.99
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 53399063
tert-butyl N-benzyl-N-(3-oxobutan-2-yl)carbamate
CID 130815225
methyl (2S,3S)-3-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-hydroxy-5-methylhexanoate
CID 11089834
methyl (2S)-2-[acetyl(benzyl)amino]propanoate
CID 75437880
1-O-tert-butyl 4-O-methyl (2R)-2-[benzyl-[(2R)-1-methoxy-1-oxopropan-2-yl]carbamoyl]butanedioate
CID 68597231
methyl 2-[2-aminopropanoyl(benzyl)amino]propanoate
CID 76625736
methyl 3-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
CID 155572646
tert-butyl N-benzyl-N-(1-hydroxy-3-methylsulfanylpropan-2-yl)carbamate
CID 71317665
methyl (2S)-2-[methoxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 139916802
tert-butyl N-benzyl-N-[phenyl(trimethylstannyl)methyl]carbamate
CID 177468393
tert-butyl (2S,4R)-2-[benzyl-[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-4-hydroxypyrrolidine-1-carboxylate
CID 68990901
methyl (2S)-3-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylpropanoate
CID 134924895

Frequently Asked Questions

What is the IUPAC name of methyl 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The IUPAC name of methyl 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate (CID 14200640) is methyl 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate.
What is the SMILES notation for methyl 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The canonical SMILES for methyl 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate is COC(=O)C(C)N(Cc1ccccc1)C(=O)OC(C)(C)C.
What is the InChIKey of methyl 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The InChIKey is STGJQKUVJNDRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-12(14(18)20-5)17(15(19)21-16(2,3)4)11-13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3.
What are the key properties of methyl 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
methyl 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate has a molecular weight of 293.36 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate is sourced from PubChem (CID 14200640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).