2-methylpropyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

C11H21NO4 — CID 58333495

IUPAC2-methylpropyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCC(C)COC(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO4/c1-8(2)7-15-9(13)6-12-10(14)16-11(3,4)5/h8H,6-7H2,1-5H3,(H,12,14)
InChIKeyWIUPFACEXMAKTJ-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.71
Rot. Bonds4

About 2-methylpropyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

2-methylpropyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (PubChem CID 58333495) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-methylpropyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.

Molecular Properties

Compound Name2-methylpropyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
PubChem CID58333495
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name2-methylpropyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCC(C)COC(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO4/c1-8(2)7-15-9(13)6-12-10(14)16-11(3,4)5/h8H,6-7H2,1-5H3,(H,12,14)
InChIKeyWIUPFACEXMAKTJ-UHFFFAOYSA-N
XLogP1.71
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylpropyl 2-(2-methylpropoxycarbonylamino)acetate
CID 6420840
2-[[2-methyl-2-(2-methylpropoxy)propyl]carbamoyloxy]ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 131998982
2-methylpropyl 2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]phenoxy]acetate
CID 67248288
2-oxoethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 87269499
propyl 2-(2-methylpropoxycarbonylamino)acetate
CID 6422792
2-(hydrazinecarbonyloxy)ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 135302819
2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyloxy]propyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 174174091
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate;propane
CID 144755686
tert-butyl N-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]carbamate
CID 86653692
[(E)-but-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 5386709
tert-butyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoate
CID 137320750
[4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]oxymethyl]phenyl]methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 11004906

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The IUPAC name of 2-methylpropyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (CID 58333495) is 2-methylpropyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.
What is the SMILES notation for 2-methylpropyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The canonical SMILES for 2-methylpropyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is CC(C)COC(=O)CNC(=O)OC(C)(C)C.
What is the InChIKey of 2-methylpropyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The InChIKey is WIUPFACEXMAKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-8(2)7-15-9(13)6-12-10(14)16-11(3,4)5/h8H,6-7H2,1-5H3,(H,12,14).
What are the key properties of 2-methylpropyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
2-methylpropyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate has a molecular weight of 231.29 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is sourced from PubChem (CID 58333495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).