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

C9H17NO4 — CID 11687095

IUPACmethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCOC(=O)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C9H17NO4/c1-9(2,3)14-8(12)10-6-5-7(11)13-4/h5-6H2,1-4H3,(H,10,12)
InChIKeyGUYURTCMYDHGKH-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.07
Rot. Bonds3

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

methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (PubChem CID 11687095) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
PubChem CID11687095
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Namemethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCOC(=O)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C9H17NO4/c1-9(2,3)14-8(12)10-6-5-7(11)13-4/h5-6H2,1-4H3,(H,10,12)
InChIKeyGUYURTCMYDHGKH-UHFFFAOYSA-N
XLogP1.07
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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

ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 15933116
methyl 6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]-6-oxohexanoate
CID 164886523
methyl 3-[methyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]propanoate
CID 166979736
tert-butyl N-(3-hydroxybut-3-enyl)carbamate
CID 45091853
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate;propane
CID 144755686
3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;molecular hydrogen
CID 143124264
methyl 3-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]propanoate
CID 141484453
tert-butyl N-(4-chloro-3-oxobutyl)carbamate
CID 104700691
tert-butyl N-(4-amino-3-oxobutyl)carbamate
CID 96619413
tert-butyl N-(3-hydroxypent-3-enyl)carbamate
CID 118047416
tert-butyl N-[3-oxo-3-(sulfanylamino)propyl]carbamate
CID 91112979
methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]acetate
CID 123437177

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The IUPAC name of methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (CID 11687095) is methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
What is the SMILES notation for methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The canonical SMILES for methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is COC(=O)CCNC(=O)OC(C)(C)C.
What is the InChIKey of methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The InChIKey is GUYURTCMYDHGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-9(2,3)14-8(12)10-6-5-7(11)13-4/h5-6H2,1-4H3,(H,10,12).
What are the key properties of methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate has a molecular weight of 203.24 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is sourced from PubChem (CID 11687095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).