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

C9H16NO4- — CID 7004985

IUPAC2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCC(C)(C)OC(=O)NC(C)(C)C(=O)[O-]
InChIInChI=1S/C9H17NO4/c1-8(2,3)14-7(13)10-9(4,5)6(11)12/h1-5H3,(H,10,13)(H,11,12)/p-1
InChIKeyMFNXWZGIFWJHMI-UHFFFAOYSA-M
MW202.23 g/mol
LogP0.04
Rot. Bonds2

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

2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (PubChem CID 7004985) has the molecular formula C9H16NO4- and a molecular weight of 202.23 g/mol. Its IUPAC name is 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.

Molecular Properties

Compound Name2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
PubChem CID7004985
Molecular FormulaC9H16NO4-
Molecular Weight202.23 g/mol
Exact Mass202.11
IUPAC Name2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCC(C)(C)OC(=O)NC(C)(C)C(=O)[O-]
InChIInChI=1S/C9H17NO4/c1-8(2,3)14-7(13)10-9(4,5)6(11)12/h1-5H3,(H,10,13)(H,11,12)/p-1
InChIKeyMFNXWZGIFWJHMI-UHFFFAOYSA-M
XLogP0.04
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 15853247
[1-amino-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propylidene]azanium chloride
CID 114996576
tert-butyl N-[(1E)-1-amino-1-hydroxyimino-2-methylpropan-2-yl]carbamate
CID 56828012
(4-hydroxyphenyl) 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 90910009
tert-butyl N-[2-methyl-3-(methylaminomethyl)but-3-en-2-yl]carbamate
CID 88590232
propan-2-yl 2-amino-2-methylpropanoate;propan-2-yl 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;hydrochloride
CID 159382523
(4-tert-butylcyclohexyl) 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 162724636
tert-butyl N-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)carbamate
CID 22282534
tert-butyl N-[1-bromo-1-(methylamino)ethyl]carbamate
CID 163506370
methyl 2-methyl-2-[[(2R)-2-methyl-2-[[2-methyl-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]pent-4-enoyl]amino]propanoate
CID 101061932
tert-butyl N-methylcarbamate;ethane
CID 142957488
tert-butyl N-bromocarbamate
CID 19029934

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The IUPAC name of 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (CID 7004985) is 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
What is the SMILES notation for 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The canonical SMILES for 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is CC(C)(C)OC(=O)NC(C)(C)C(=O)[O-].
What is the InChIKey of 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The InChIKey is MFNXWZGIFWJHMI-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H17NO4/c1-8(2,3)14-7(13)10-9(4,5)6(11)12/h1-5H3,(H,10,13)(H,11,12)/p-1.
What are the key properties of 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate has a molecular weight of 202.23 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is sourced from PubChem (CID 7004985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).