butan-2-yl 2-(dimethylamino)acetate

C8H17NO2 — CID 134215874

IUPACbutan-2-yl 2-(dimethylamino)acetate
SMILESCCC(C)OC(=O)CN(C)C
InChIInChI=1S/C8H17NO2/c1-5-7(2)11-8(10)6-9(3)4/h7H,5-6H2,1-4H3
InChIKeyGJQYWPQPIMVDOM-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.89
Rot. Bonds4

About butan-2-yl 2-(dimethylamino)acetate

butan-2-yl 2-(dimethylamino)acetate (PubChem CID 134215874) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is butan-2-yl 2-(dimethylamino)acetate.

Molecular Properties

Compound Namebutan-2-yl 2-(dimethylamino)acetate
PubChem CID134215874
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Namebutan-2-yl 2-(dimethylamino)acetate
SMILESCCC(C)OC(=O)CN(C)C
InChIInChI=1S/C8H17NO2/c1-5-7(2)11-8(10)6-9(3)4/h7H,5-6H2,1-4H3
InChIKeyGJQYWPQPIMVDOM-UHFFFAOYSA-N
XLogP0.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-butan-2-yloxy-2-oxoethyl)-methylamino]propanoic acid
CID 82223979
1-O-[(2R)-butan-2-yl] 4-O-[(2S)-butan-2-yl] butanedioate
CID 92854984
butan-2-yl 4-methylhexanoate
CID 137387388
dibutan-2-yl octanedioate
CID 593779
1-O-[(2R)-butan-2-yl] 9-O-[(2S)-butan-2-yl] nonanedioate
CID 92532862
butan-2-yl propanoate;sulfur dioxide
CID 159892772
[(2R)-butan-2-yl] [(2S)-butan-2-yl] carbonate
CID 173085312
ethyl 2-(dimethylamino)acetate;hydrochloride
CID 86629091
butan-2-yl 3-oxopropanoate
CID 91092014
dibutan-2-yl 2-oxobutanedioate
CID 90921286
dibutan-2-yl 2,3-dimethylbutanedioate
CID 582100
[(2R)-butan-2-yl] [(2R)-butan-2-yl]oxycarbonyloxy carbonate
CID 97292372

Frequently Asked Questions

What is the IUPAC name of butan-2-yl 2-(dimethylamino)acetate?
The IUPAC name of butan-2-yl 2-(dimethylamino)acetate (CID 134215874) is butan-2-yl 2-(dimethylamino)acetate.
What is the SMILES notation for butan-2-yl 2-(dimethylamino)acetate?
The canonical SMILES for butan-2-yl 2-(dimethylamino)acetate is CCC(C)OC(=O)CN(C)C.
What is the InChIKey of butan-2-yl 2-(dimethylamino)acetate?
The InChIKey is GJQYWPQPIMVDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-5-7(2)11-8(10)6-9(3)4/h7H,5-6H2,1-4H3.
What are the key properties of butan-2-yl 2-(dimethylamino)acetate?
butan-2-yl 2-(dimethylamino)acetate has a molecular weight of 159.23 g/mol, XLogP of 0.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl 2-(dimethylamino)acetate is sourced from PubChem (CID 134215874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).