ethyl 2-methyl-4-[methyl-(2-methyloxolan-3-yl)amino]-2-(propan-2-ylamino)butanoate

C16H32N2O3 — CID 82731222

IUPACethyl 2-methyl-4-[methyl-(2-methyloxolan-3-yl)amino]-2-(propan-2-ylamino)butanoate
SMILESCCOC(=O)C(C)(CCN(C)C1CCOC1C)NC(C)C
InChIInChI=1S/C16H32N2O3/c1-7-20-15(19)16(5,17-12(2)3)9-10-18(6)14-8-11-21-13(14)4/h12-14,17H,7-11H2,1-6H3
InChIKeyOLIQTQHRDRTSLS-UHFFFAOYSA-N
MW300.44 g/mol
LogP1.81
Rot. Bonds8

About ethyl 2-methyl-4-[methyl-(2-methyloxolan-3-yl)amino]-2-(propan-2-ylamino)butanoate

ethyl 2-methyl-4-[methyl-(2-methyloxolan-3-yl)amino]-2-(propan-2-ylamino)butanoate (PubChem CID 82731222) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is ethyl 2-methyl-4-[methyl-(2-methyloxolan-3-yl)amino]-2-(propan-2-ylamino)butanoate.

Molecular Properties

Compound Nameethyl 2-methyl-4-[methyl-(2-methyloxolan-3-yl)amino]-2-(propan-2-ylamino)butanoate
PubChem CID82731222
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Nameethyl 2-methyl-4-[methyl-(2-methyloxolan-3-yl)amino]-2-(propan-2-ylamino)butanoate
SMILESCCOC(=O)C(C)(CCN(C)C1CCOC1C)NC(C)C
InChIInChI=1S/C16H32N2O3/c1-7-20-15(19)16(5,17-12(2)3)9-10-18(6)14-8-11-21-13(14)4/h12-14,17H,7-11H2,1-6H3
InChIKeyOLIQTQHRDRTSLS-UHFFFAOYSA-N
XLogP1.81
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-methyl-4-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-(propan-2-ylamino)butanoate
CID 63864336
2-(cyclopropylamino)-2-methyl-4-[methyl-(2-methyloxolan-3-yl)amino]butanamide
CID 82743387
2-amino-2-methyl-4-[methyl-(2-methyloxolan-3-yl)amino]butanamide
CID 82743708
2-(ethylamino)-2-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]pentanoic acid
CID 82744273
3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid
CID 82719112
ethyl 3-hydroxy-4-[methyl-(2-methyloxolan-3-yl)amino]butanoate
CID 82769885
2-amino-2-methyl-4-[methyl-(2-methyloxolan-3-yl)amino]butan-1-ol
CID 82745922
3-[methyl-(2-methyloxolan-3-yl)amino]propanamide
CID 82749509
ethyl 5-(2-cyclopropylethoxy)-2-methyl-2-(propan-2-ylamino)pentanoate
CID 106204394
ethyl 2-methyl-2-(methylamino)-6-(2-methyloxolan-3-yl)sulfanylhexanoate
CID 107755296
methyl 2,2-dimethyl-4-[methyl-(2-methyloxolan-3-yl)amino]-3-oxobutanoate
CID 112752277
ethyl 5-(cyclopentylmethoxy)-2-methyl-2-(propan-2-ylamino)pentanoate
CID 66323112

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-4-[methyl-(2-methyloxolan-3-yl)amino]-2-(propan-2-ylamino)butanoate?
The IUPAC name of ethyl 2-methyl-4-[methyl-(2-methyloxolan-3-yl)amino]-2-(propan-2-ylamino)butanoate (CID 82731222) is ethyl 2-methyl-4-[methyl-(2-methyloxolan-3-yl)amino]-2-(propan-2-ylamino)butanoate.
What is the SMILES notation for ethyl 2-methyl-4-[methyl-(2-methyloxolan-3-yl)amino]-2-(propan-2-ylamino)butanoate?
The canonical SMILES for ethyl 2-methyl-4-[methyl-(2-methyloxolan-3-yl)amino]-2-(propan-2-ylamino)butanoate is CCOC(=O)C(C)(CCN(C)C1CCOC1C)NC(C)C.
What is the InChIKey of ethyl 2-methyl-4-[methyl-(2-methyloxolan-3-yl)amino]-2-(propan-2-ylamino)butanoate?
The InChIKey is OLIQTQHRDRTSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-7-20-15(19)16(5,17-12(2)3)9-10-18(6)14-8-11-21-13(14)4/h12-14,17H,7-11H2,1-6H3.
What are the key properties of ethyl 2-methyl-4-[methyl-(2-methyloxolan-3-yl)amino]-2-(propan-2-ylamino)butanoate?
ethyl 2-methyl-4-[methyl-(2-methyloxolan-3-yl)amino]-2-(propan-2-ylamino)butanoate has a molecular weight of 300.44 g/mol, XLogP of 1.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-4-[methyl-(2-methyloxolan-3-yl)amino]-2-(propan-2-ylamino)butanoate is sourced from PubChem (CID 82731222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).