2-methylpropyl 2-(ethylamino)-2-methylpropanoate

C10H21NO2 — CID 62821579

IUPAC2-methylpropyl 2-(ethylamino)-2-methylpropanoate
SMILESCCNC(C)(C)C(=O)OCC(C)C
InChIInChI=1S/C10H21NO2/c1-6-11-10(4,5)9(12)13-7-8(2)3/h8,11H,6-7H2,1-5H3
InChIKeyUVTBVUKAWNLVAQ-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.57
Rot. Bonds5

About 2-methylpropyl 2-(ethylamino)-2-methylpropanoate

2-methylpropyl 2-(ethylamino)-2-methylpropanoate (PubChem CID 62821579) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 2-methylpropyl 2-(ethylamino)-2-methylpropanoate.

Molecular Properties

Compound Name2-methylpropyl 2-(ethylamino)-2-methylpropanoate
PubChem CID62821579
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name2-methylpropyl 2-(ethylamino)-2-methylpropanoate
SMILESCCNC(C)(C)C(=O)OCC(C)C
InChIInChI=1S/C10H21NO2/c1-6-11-10(4,5)9(12)13-7-8(2)3/h8,11H,6-7H2,1-5H3
InChIKeyUVTBVUKAWNLVAQ-UHFFFAOYSA-N
XLogP1.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropyl 2-methyl-2-(3-oxobutylamino)propanoate
CID 166736659
2-methylpropyl 2,2-diethylbutanoate
CID 139972882
bis(2-methylpropyl) 2,3-diethoxy-2,3-dimethylbutanedioate
CID 139989397
2-propoxyethyl 2-(ethylamino)-2-methylpropanoate
CID 63687075
bis(2-methylpropyl) 2,2,3-trimethylbutanedioate
CID 22639843
1-O-(2-methylpropyl) 3-O-nonyl 2,2-dimethylpropanedioate
CID 91714570
1-O-butyl 5-O-(2-methylpropyl) 2,2,4,4-tetramethylpentanedioate
CID 126725784
2-methylpropyl 2,2-dimethylheptanoate
CID 58096950
[2-methyl-1-(2-methylpropoxy)-1-oxopropan-2-yl] 2,2-dimethylpropanoate
CID 153381894
2-methylpropyl 2-methyl-2-(2-methylpropanoyloxy)propanoate
CID 153381891
2-methylpropyl 11-amino-2,2,9,9-tetramethylundecanoate
CID 167096428
3-ethyl-3-(2-methylpropoxycarbonyl)pentanoic acid
CID 87559414

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-(ethylamino)-2-methylpropanoate?
The IUPAC name of 2-methylpropyl 2-(ethylamino)-2-methylpropanoate (CID 62821579) is 2-methylpropyl 2-(ethylamino)-2-methylpropanoate.
What is the SMILES notation for 2-methylpropyl 2-(ethylamino)-2-methylpropanoate?
The canonical SMILES for 2-methylpropyl 2-(ethylamino)-2-methylpropanoate is CCNC(C)(C)C(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl 2-(ethylamino)-2-methylpropanoate?
The InChIKey is UVTBVUKAWNLVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-6-11-10(4,5)9(12)13-7-8(2)3/h8,11H,6-7H2,1-5H3.
What are the key properties of 2-methylpropyl 2-(ethylamino)-2-methylpropanoate?
2-methylpropyl 2-(ethylamino)-2-methylpropanoate has a molecular weight of 187.28 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-(ethylamino)-2-methylpropanoate is sourced from PubChem (CID 62821579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).