ethyl 4-(2-cyclopropylethoxy)-2-methyl-2-(methylamino)pentanoate

C14H27NO3 — CID 106204345

IUPACethyl 4-(2-cyclopropylethoxy)-2-methyl-2-(methylamino)pentanoate
SMILESCCOC(=O)C(C)(CC(C)OCCC1CC1)NC
InChIInChI=1S/C14H27NO3/c1-5-17-13(16)14(3,15-4)10-11(2)18-9-8-12-6-7-12/h11-12,15H,5-10H2,1-4H3
InChIKeyBMWKQNUQGVDQCZ-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.12
Rot. Bonds9

About ethyl 4-(2-cyclopropylethoxy)-2-methyl-2-(methylamino)pentanoate

ethyl 4-(2-cyclopropylethoxy)-2-methyl-2-(methylamino)pentanoate (PubChem CID 106204345) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is ethyl 4-(2-cyclopropylethoxy)-2-methyl-2-(methylamino)pentanoate.

Molecular Properties

Compound Nameethyl 4-(2-cyclopropylethoxy)-2-methyl-2-(methylamino)pentanoate
PubChem CID106204345
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Nameethyl 4-(2-cyclopropylethoxy)-2-methyl-2-(methylamino)pentanoate
SMILESCCOC(=O)C(C)(CC(C)OCCC1CC1)NC
InChIInChI=1S/C14H27NO3/c1-5-17-13(16)14(3,15-4)10-11(2)18-9-8-12-6-7-12/h11-12,15H,5-10H2,1-4H3
InChIKeyBMWKQNUQGVDQCZ-UHFFFAOYSA-N
XLogP2.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(2-cyclopropylethoxy)-2-methyl-2-(propan-2-ylamino)pentanoate
CID 106204438
ethyl 4-ethoxy-2-methyl-2-(methylamino)pentanoate
CID 64706802
4-(2-cyclopropylethoxy)-2-methyl-2-(propan-2-ylamino)pentanamide
CID 114157820
4-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)pentanoic acid
CID 106204603
ethyl 2-methyl-2-(methylamino)-4-(4,4,4-trifluorobutoxy)pentanoate
CID 82792603
ethyl 4-cyclobutyloxy-2-methyl-2-(methylamino)pentanoate
CID 64721136
ethyl 5-(2-cyclopropylethoxy)-2-methyl-2-(propan-2-ylamino)pentanoate
CID 106204394
ethyl 4-(cyclopentylmethylsulfanyl)-2-methyl-2-(methylamino)pentanoate
CID 64704550
ethyl 6-(1-ethoxypropan-2-yloxy)-2-methyl-2-(methylamino)hexanoate
CID 103489864
ethyl 6-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)hexanoate
CID 106204484
4-(2-methoxyethoxy)-2-methyl-2-(methylamino)pentanamide
CID 64707377
ethyl 3-(1-ethoxypropan-2-yloxy)-2-methyl-2-(methylamino)propanoate
CID 103489778

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-cyclopropylethoxy)-2-methyl-2-(methylamino)pentanoate?
The IUPAC name of ethyl 4-(2-cyclopropylethoxy)-2-methyl-2-(methylamino)pentanoate (CID 106204345) is ethyl 4-(2-cyclopropylethoxy)-2-methyl-2-(methylamino)pentanoate.
What is the SMILES notation for ethyl 4-(2-cyclopropylethoxy)-2-methyl-2-(methylamino)pentanoate?
The canonical SMILES for ethyl 4-(2-cyclopropylethoxy)-2-methyl-2-(methylamino)pentanoate is CCOC(=O)C(C)(CC(C)OCCC1CC1)NC.
What is the InChIKey of ethyl 4-(2-cyclopropylethoxy)-2-methyl-2-(methylamino)pentanoate?
The InChIKey is BMWKQNUQGVDQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-5-17-13(16)14(3,15-4)10-11(2)18-9-8-12-6-7-12/h11-12,15H,5-10H2,1-4H3.
What are the key properties of ethyl 4-(2-cyclopropylethoxy)-2-methyl-2-(methylamino)pentanoate?
ethyl 4-(2-cyclopropylethoxy)-2-methyl-2-(methylamino)pentanoate has a molecular weight of 257.37 g/mol, XLogP of 2.12, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-cyclopropylethoxy)-2-methyl-2-(methylamino)pentanoate is sourced from PubChem (CID 106204345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).