methyl 2-[[(3R)-hexan-3-yl]-methylamino]acetate

C10H21NO2 — CID 90862212

IUPACmethyl 2-[[(3R)-hexan-3-yl]-methylamino]acetate
SMILESCCC[C@@H](CC)N(C)CC(=O)OC
InChIInChI=1S/C10H21NO2/c1-5-7-9(6-2)11(3)8-10(12)13-4/h9H,5-8H2,1-4H3/t9-/m1/s1
InChIKeyLKOCKJWRDRBZER-SECBINFHSA-N
MW187.28 g/mol
LogP1.67
Rot. Bonds6

About methyl 2-[[(3R)-hexan-3-yl]-methylamino]acetate

methyl 2-[[(3R)-hexan-3-yl]-methylamino]acetate (PubChem CID 90862212) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is methyl 2-[[(3R)-hexan-3-yl]-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[(3R)-hexan-3-yl]-methylamino]acetate
PubChem CID90862212
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Namemethyl 2-[[(3R)-hexan-3-yl]-methylamino]acetate
SMILESCCC[C@@H](CC)N(C)CC(=O)OC
InChIInChI=1S/C10H21NO2/c1-5-7-9(6-2)11(3)8-10(12)13-4/h9H,5-8H2,1-4H3/t9-/m1/s1
InChIKeyLKOCKJWRDRBZER-SECBINFHSA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[4-methoxybutan-2-yl(methyl)amino]acetate
CID 115688695
methyl 4-(dimethylamino)heptanoate
CID 116910261
methyl 2-[1-cyanopropyl(methyl)amino]acetate
CID 62026696
methyl 2-[ethyl(pentan-2-yl)amino]acetate
CID 107885990
methyl 2-[methyl-[1-oxo-1-(propylamino)propan-2-yl]amino]acetate
CID 60677105
tert-butyl (4S)-5-hydroxy-4-[(2-methoxy-2-oxoethyl)-methylamino]pentanoate
CID 58781951
methyl 3-[methyl(pentan-2-yl)amino]propanoate
CID 43430775
methyl 2-[2-ethylhexyl(methyl)amino]acetate
CID 62026323
ethyl 2-[(3-methoxy-3-oxopropyl)-methylamino]pentanoate
CID 83043139
methyl 2-[[1-(diethylamino)-1-oxopropan-2-yl]-methylamino]acetate
CID 60721008
[hexan-3-yl(methyl)amino]methanesulfonic acid
CID 89376589
methyl 2-[cyclopentyl(pentan-3-yl)amino]acetate
CID 115536847

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(3R)-hexan-3-yl]-methylamino]acetate?
The IUPAC name of methyl 2-[[(3R)-hexan-3-yl]-methylamino]acetate (CID 90862212) is methyl 2-[[(3R)-hexan-3-yl]-methylamino]acetate.
What is the SMILES notation for methyl 2-[[(3R)-hexan-3-yl]-methylamino]acetate?
The canonical SMILES for methyl 2-[[(3R)-hexan-3-yl]-methylamino]acetate is CCC[C@@H](CC)N(C)CC(=O)OC.
What is the InChIKey of methyl 2-[[(3R)-hexan-3-yl]-methylamino]acetate?
The InChIKey is LKOCKJWRDRBZER-SECBINFHSA-N. The full InChI is InChI=1S/C10H21NO2/c1-5-7-9(6-2)11(3)8-10(12)13-4/h9H,5-8H2,1-4H3/t9-/m1/s1.
What are the key properties of methyl 2-[[(3R)-hexan-3-yl]-methylamino]acetate?
methyl 2-[[(3R)-hexan-3-yl]-methylamino]acetate has a molecular weight of 187.28 g/mol, XLogP of 1.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(3R)-hexan-3-yl]-methylamino]acetate is sourced from PubChem (CID 90862212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).