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

C9H16NO4- — CID 6991933

IUPAC3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
SMILESCN(CCC(=O)[O-])C(=O)OC(C)(C)C
InChIInChI=1S/C9H17NO4/c1-9(2,3)14-8(13)10(4)6-5-7(11)12/h5-6H2,1-4H3,(H,11,12)/p-1
InChIKeyBBIFRGBXCKOUBW-UHFFFAOYSA-M
MW202.23 g/mol
LogP-0.01
Rot. Bonds3

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

3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate (PubChem CID 6991933) has the molecular formula C9H16NO4- and a molecular weight of 202.23 g/mol. Its IUPAC name is 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate.

Molecular Properties

Compound Name3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
PubChem CID6991933
Molecular FormulaC9H16NO4-
Molecular Weight202.23 g/mol
Exact Mass202.11
IUPAC Name3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
SMILESCN(CCC(=O)[O-])C(=O)OC(C)(C)C
InChIInChI=1S/C9H17NO4/c1-9(2,3)14-8(13)10(4)6-5-7(11)12/h5-6H2,1-4H3,(H,11,12)/p-1
InChIKeyBBIFRGBXCKOUBW-UHFFFAOYSA-M
XLogP-0.01
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

potassium 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 140930688
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylazanium
CID 7006641
tert-butyl N-(2-aminooxyethyl)-N-methylcarbamate
CID 23398498
tert-butyl N-[4-(dimethylamino)-4-oxobutyl]-N-methylcarbamate
CID 19757668
tert-butyl 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
CID 163409952
3-[2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]propanoic acid
CID 170906120
tert-butyl N-methyl-N-(5-methyl-4-oxohex-5-enyl)carbamate
CID 167204314
tert-butyl N-methyl-N-(2-methylsulfonylethyl)carbamate
CID 23061773
tert-butyl N-methyl-N-[4-(2-methylcyclopropyl)-3-oxobutyl]carbamate
CID 165471531
tert-butyl N-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethyl]-N-methylcarbamate
CID 178173815
tert-butyl N-(3,3-dimethyl-6-oxoheptyl)-N-methylcarbamate
CID 169213307
methyl 8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]octanoate
CID 139703112

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The IUPAC name of 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate (CID 6991933) is 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate.
What is the SMILES notation for 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The canonical SMILES for 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate is CN(CCC(=O)[O-])C(=O)OC(C)(C)C.
What is the InChIKey of 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The InChIKey is BBIFRGBXCKOUBW-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H17NO4/c1-9(2,3)14-8(13)10(4)6-5-7(11)12/h5-6H2,1-4H3,(H,11,12)/p-1.
What are the key properties of 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate has a molecular weight of 202.23 g/mol, XLogP of -0.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate is sourced from PubChem (CID 6991933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).