methyl 2-cyclopropyl-2-[2-(oxolan-2-yl)ethylamino]acetate

C12H21NO3 — CID 103242459

IUPACmethyl 2-cyclopropyl-2-[2-(oxolan-2-yl)ethylamino]acetate
SMILESCOC(=O)C(NCCC1CCCO1)C1CC1
InChIInChI=1S/C12H21NO3/c1-15-12(14)11(9-4-5-9)13-7-6-10-3-2-8-16-10/h9-11,13H,2-8H2,1H3
InChIKeyGGZKQQVOZYKTLN-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.10
Rot. Bonds6

About methyl 2-cyclopropyl-2-[2-(oxolan-2-yl)ethylamino]acetate

methyl 2-cyclopropyl-2-[2-(oxolan-2-yl)ethylamino]acetate (PubChem CID 103242459) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is methyl 2-cyclopropyl-2-[2-(oxolan-2-yl)ethylamino]acetate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-2-[2-(oxolan-2-yl)ethylamino]acetate
PubChem CID103242459
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Namemethyl 2-cyclopropyl-2-[2-(oxolan-2-yl)ethylamino]acetate
SMILESCOC(=O)C(NCCC1CCCO1)C1CC1
InChIInChI=1S/C12H21NO3/c1-15-12(14)11(9-4-5-9)13-7-6-10-3-2-8-16-10/h9-11,13H,2-8H2,1H3
InChIKeyGGZKQQVOZYKTLN-UHFFFAOYSA-N
XLogP1.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 90473595
Propan-2-yl 3-azabicyclo[3.1.0]hexane-2-carboxylate
CID 20291500
cyclopentyl (2S)-2-(tert-butylamino)-4-methylpentanoate
CID 57658360
Methyl(2r)-(cyclopentylamino)(cyclopropyl)acetate
CID 58009755
(4R,5S)-4,5-dimethyl-3-(methylamino)oxolan-2-one
CID 59116434
(4R,5S)-4,5-dimethyl-3-(propylamino)oxolan-2-one
CID 59116442
(3S,4R,5S)-4,5-dimethyl-3-(methylamino)oxolan-2-one
CID 59116447
(3R,4R,5S)-4,5-dimethyl-3-(methylamino)oxolan-2-one
CID 59116451
4-Methylpentan-2-yl pyrrolidine-2-carboxylate
CID 61278208
methyl (2S,3R)-3-ethyl-4-propan-2-yloxypyrrolidine-2-carboxylate
CID 67992751
cyclopentyl (2S)-2-(ethylamino)-4-methylpentanoate
CID 68027741
cyclopentyl (2S)-4-methyl-2-(methylamino)pentanoate
CID 70930937

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-2-[2-(oxolan-2-yl)ethylamino]acetate?
The IUPAC name of methyl 2-cyclopropyl-2-[2-(oxolan-2-yl)ethylamino]acetate (CID 103242459) is methyl 2-cyclopropyl-2-[2-(oxolan-2-yl)ethylamino]acetate.
What is the SMILES notation for methyl 2-cyclopropyl-2-[2-(oxolan-2-yl)ethylamino]acetate?
The canonical SMILES for methyl 2-cyclopropyl-2-[2-(oxolan-2-yl)ethylamino]acetate is COC(=O)C(NCCC1CCCO1)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-2-[2-(oxolan-2-yl)ethylamino]acetate?
The InChIKey is GGZKQQVOZYKTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-15-12(14)11(9-4-5-9)13-7-6-10-3-2-8-16-10/h9-11,13H,2-8H2,1H3.
What are the key properties of methyl 2-cyclopropyl-2-[2-(oxolan-2-yl)ethylamino]acetate?
methyl 2-cyclopropyl-2-[2-(oxolan-2-yl)ethylamino]acetate has a molecular weight of 227.30 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-2-[2-(oxolan-2-yl)ethylamino]acetate is sourced from PubChem (CID 103242459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).