methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

C9H17NO4 — CID 545713

IUPACmethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCOC(=O)C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C9H17NO4/c1-6(7(11)13-5)10-8(12)14-9(2,3)4/h6H,1-5H3,(H,10,12)
InChIKeyGJDICGOCZGRDFM-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.07
Rot. Bonds2

About methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (PubChem CID 545713) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
PubChem CID545713
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Namemethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCOC(=O)C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C9H17NO4/c1-6(7(11)13-5)10-8(12)14-9(2,3)4/h6H,1-5H3,(H,10,12)
InChIKeyGJDICGOCZGRDFM-UHFFFAOYSA-N
XLogP1.07
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(tert-Butoxycarbonyl)-L-serine beta-lactone
CID 2763194
Tert-butoxycarbonylalanine
CID 85082
tert-Butyl ((tert-butoxycarbonyl)amino)acetate
CID 4097102
2-N-Boc-aminopropionic acid
CID 268471
N-Boc-D-serine methyl ester
CID 377723
Diethyl 2-((tert-butoxycarbonyl)amino)malonate
CID 382219
N-Boc-L-serine methyl ester
CID 7019177
N-Boc-glycine methyl ester
CID 637609
(R)-tert-Butyl (2-oxooxetan-3-yl)carbamate
CID 11137856
2-(((Tert-butoxy)carbonyl)amino)butanoic acid
CID 333522
BOC-D-alanine
CID 637606
Methyl 2-(((tert-butoxy)carbonyl)amino)-3-sulfanylpropanoate
CID 4399784

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The IUPAC name of methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (CID 545713) is methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
What is the SMILES notation for methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The canonical SMILES for methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is COC(=O)C(C)NC(=O)OC(C)(C)C.
What is the InChIKey of methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The InChIKey is GJDICGOCZGRDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-6(7(11)13-5)10-8(12)14-9(2,3)4/h6H,1-5H3,(H,10,12).
What are the key properties of methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate has a molecular weight of 203.24 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is sourced from PubChem (CID 545713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).