methyl 2-[ethyl(pentan-2-yl)amino]acetate

C10H21NO2 — CID 107885990

IUPACmethyl 2-[ethyl(pentan-2-yl)amino]acetate
SMILESCCCC(C)N(CC)CC(=O)OC
InChIInChI=1S/C10H21NO2/c1-5-7-9(3)11(6-2)8-10(12)13-4/h9H,5-8H2,1-4H3
InChIKeyNRHCTDYNGIAIHN-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.67
Rot. Bonds6

About methyl 2-[ethyl(pentan-2-yl)amino]acetate

methyl 2-[ethyl(pentan-2-yl)amino]acetate (PubChem CID 107885990) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is methyl 2-[ethyl(pentan-2-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[ethyl(pentan-2-yl)amino]acetate
PubChem CID107885990
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Namemethyl 2-[ethyl(pentan-2-yl)amino]acetate
SMILESCCCC(C)N(CC)CC(=O)OC
InChIInChI=1S/C10H21NO2/c1-5-7-9(3)11(6-2)8-10(12)13-4/h9H,5-8H2,1-4H3
InChIKeyNRHCTDYNGIAIHN-UHFFFAOYSA-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

Analyze methyl 2-[ethyl(pentan-2-yl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[[1-(diethylamino)-1-oxopropan-2-yl]-propylamino]acetate
CID 62011369
2-[bis(2-methoxy-2-oxoethyl)amino]propanoic acid
CID 58403278
methyl 2-[ethyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]acetate
CID 62011390
methyl 3-[ethyl-[2-(methylamino)-2-oxoethyl]amino]butanoate
CID 61448932
ethyl 3-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]-2-methylpropanoate
CID 62026064
methyl 2-[[2-(dipropylamino)-2-oxoethyl]-propan-2-ylamino]acetate
CID 62027203
methyl 2-[[(3R)-hexan-3-yl]-methylamino]acetate
CID 90862212
methyl 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]acetate
CID 61067688
methyl 3-[methyl(pentan-2-yl)amino]propanoate
CID 43430775
N,N-diethylpentan-2-amine;2-methylprop-2-enoic acid
CID 161380270
methyl 2-[2-butoxyethyl(propan-2-yl)amino]acetate
CID 55208271
methyl 2-[[1-(butylamino)-1-oxopropan-2-yl]-propylamino]acetate
CID 62010774

Frequently Asked Questions

What is the IUPAC name of methyl 2-[ethyl(pentan-2-yl)amino]acetate?
The IUPAC name of methyl 2-[ethyl(pentan-2-yl)amino]acetate (CID 107885990) is methyl 2-[ethyl(pentan-2-yl)amino]acetate.
What is the SMILES notation for methyl 2-[ethyl(pentan-2-yl)amino]acetate?
The canonical SMILES for methyl 2-[ethyl(pentan-2-yl)amino]acetate is CCCC(C)N(CC)CC(=O)OC.
What is the InChIKey of methyl 2-[ethyl(pentan-2-yl)amino]acetate?
The InChIKey is NRHCTDYNGIAIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-5-7-9(3)11(6-2)8-10(12)13-4/h9H,5-8H2,1-4H3.
What are the key properties of methyl 2-[ethyl(pentan-2-yl)amino]acetate?
methyl 2-[ethyl(pentan-2-yl)amino]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-[ethyl(pentan-2-yl)amino]acetate is sourced from PubChem (CID 107885990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).