2-methylpropyl 2-(2-methylpropoxycarbonylamino)acetate

C11H21NO4 — CID 6420840

IUPAC2-methylpropyl 2-(2-methylpropoxycarbonylamino)acetate
SMILESCC(C)COC(=O)CNC(=O)OCC(C)C
InChIInChI=1S/C11H21NO4/c1-8(2)6-15-10(13)5-12-11(14)16-7-9(3)4/h8-9H,5-7H2,1-4H3,(H,12,14)
InChIKeyJEYPTPSADNLGQV-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.57
Rot. Bonds6

About 2-methylpropyl 2-(2-methylpropoxycarbonylamino)acetate

2-methylpropyl 2-(2-methylpropoxycarbonylamino)acetate (PubChem CID 6420840) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-methylpropyl 2-(2-methylpropoxycarbonylamino)acetate.

Molecular Properties

Compound Name2-methylpropyl 2-(2-methylpropoxycarbonylamino)acetate
PubChem CID6420840
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name2-methylpropyl 2-(2-methylpropoxycarbonylamino)acetate
SMILESCC(C)COC(=O)CNC(=O)OCC(C)C
InChIInChI=1S/C11H21NO4/c1-8(2)6-15-10(13)5-12-11(14)16-7-9(3)4/h8-9H,5-7H2,1-4H3,(H,12,14)
InChIKeyJEYPTPSADNLGQV-UHFFFAOYSA-N
XLogP1.57
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

propyl 2-(2-methylpropoxycarbonylamino)acetate
CID 6422792
2-methylpropyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 58333495
butyl 2-(2-methylpropoxycarbonylamino)acetate
CID 6422793
[tert-butyl(dimethyl)silyl] 2-(2-methylpropoxycarbonylamino)acetate
CID 529362
2-methylpropyl N-(2,2-dimethylpropyl)carbamate
CID 88893905
methane;2-methylpropyl 2-(methylamino)acetate
CID 162173386
2-methylpropyl N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]carbamate
CID 163549649
2-methylpropyl N-[6-(2-methylpropoxycarbonylamino)hexyl]carbamate
CID 91749295
2-methylpropyl N-(2-hydroxypropyl)carbamate
CID 43427881
2-methylpropyl N-(3-amino-2,2-dimethylpropyl)carbamate
CID 115365837
(2S)-2-[[2-(2-methylpropoxycarbonylamino)acetyl]amino]propanoic acid
CID 142115980
2-methylpropyl N-[2-(methylamino)ethyl]carbamate
CID 62658921

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-(2-methylpropoxycarbonylamino)acetate?
The IUPAC name of 2-methylpropyl 2-(2-methylpropoxycarbonylamino)acetate (CID 6420840) is 2-methylpropyl 2-(2-methylpropoxycarbonylamino)acetate.
What is the SMILES notation for 2-methylpropyl 2-(2-methylpropoxycarbonylamino)acetate?
The canonical SMILES for 2-methylpropyl 2-(2-methylpropoxycarbonylamino)acetate is CC(C)COC(=O)CNC(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl 2-(2-methylpropoxycarbonylamino)acetate?
The InChIKey is JEYPTPSADNLGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-8(2)6-15-10(13)5-12-11(14)16-7-9(3)4/h8-9H,5-7H2,1-4H3,(H,12,14).
What are the key properties of 2-methylpropyl 2-(2-methylpropoxycarbonylamino)acetate?
2-methylpropyl 2-(2-methylpropoxycarbonylamino)acetate has a molecular weight of 231.29 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-(2-methylpropoxycarbonylamino)acetate is sourced from PubChem (CID 6420840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).