ethyl 4-(2-cyclopropylethoxy)-2-methyl-2-(propan-2-ylamino)pentanoate

C16H31NO3 — CID 106204438

IUPACethyl 4-(2-cyclopropylethoxy)-2-methyl-2-(propan-2-ylamino)pentanoate
SMILESCCOC(=O)C(C)(CC(C)OCCC1CC1)NC(C)C
InChIInChI=1S/C16H31NO3/c1-6-19-15(18)16(5,17-12(2)3)11-13(4)20-10-9-14-7-8-14/h12-14,17H,6-11H2,1-5H3
InChIKeyROXNFJMPMQHIBU-UHFFFAOYSA-N
MW285.43 g/mol
LogP2.90
Rot. Bonds10

About ethyl 4-(2-cyclopropylethoxy)-2-methyl-2-(propan-2-ylamino)pentanoate

ethyl 4-(2-cyclopropylethoxy)-2-methyl-2-(propan-2-ylamino)pentanoate (PubChem CID 106204438) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is ethyl 4-(2-cyclopropylethoxy)-2-methyl-2-(propan-2-ylamino)pentanoate.

Molecular Properties

Compound Nameethyl 4-(2-cyclopropylethoxy)-2-methyl-2-(propan-2-ylamino)pentanoate
PubChem CID106204438
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Nameethyl 4-(2-cyclopropylethoxy)-2-methyl-2-(propan-2-ylamino)pentanoate
SMILESCCOC(=O)C(C)(CC(C)OCCC1CC1)NC(C)C
InChIInChI=1S/C16H31NO3/c1-6-19-15(18)16(5,17-12(2)3)11-13(4)20-10-9-14-7-8-14/h12-14,17H,6-11H2,1-5H3
InChIKeyROXNFJMPMQHIBU-UHFFFAOYSA-N
XLogP2.90
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-cyclopropylethoxy)-2-methyl-2-(propan-2-ylamino)pentanamide
CID 114157820
ethyl 4-(2-cyclopropylethoxy)-2-methyl-2-(methylamino)pentanoate
CID 106204345
ethyl 5-(2-cyclopropylethoxy)-2-methyl-2-(propan-2-ylamino)pentanoate
CID 106204394
ethyl 2-methyl-2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)pentanoate
CID 64707611
4-ethoxy-2-methyl-2-(propan-2-ylamino)pentanamide
CID 64707210
ethyl 3-(cyclohexylmethoxy)-2-methyl-2-(propan-2-ylamino)propanoate
CID 62384132
ethyl 4-cyclopentylsulfanyl-2-methyl-2-(propan-2-ylamino)pentanoate
CID 64705146
4-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)pentanoic acid
CID 106204603
ethyl 2-methyl-4-(4-methylpiperidin-1-yl)-2-(propan-2-ylamino)pentanoate
CID 64725967
ethyl 2-(ethylamino)-2-methyl-4-pentoxypentanoate
CID 64719572
ethyl 5-(cyclopentylmethoxy)-2-methyl-2-(propan-2-ylamino)pentanoate
CID 66323112
4-(2-cyclobutylethoxy)-2-methyl-2-(propylamino)pentanoic acid
CID 106204642

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-cyclopropylethoxy)-2-methyl-2-(propan-2-ylamino)pentanoate?
The IUPAC name of ethyl 4-(2-cyclopropylethoxy)-2-methyl-2-(propan-2-ylamino)pentanoate (CID 106204438) is ethyl 4-(2-cyclopropylethoxy)-2-methyl-2-(propan-2-ylamino)pentanoate.
What is the SMILES notation for ethyl 4-(2-cyclopropylethoxy)-2-methyl-2-(propan-2-ylamino)pentanoate?
The canonical SMILES for ethyl 4-(2-cyclopropylethoxy)-2-methyl-2-(propan-2-ylamino)pentanoate is CCOC(=O)C(C)(CC(C)OCCC1CC1)NC(C)C.
What is the InChIKey of ethyl 4-(2-cyclopropylethoxy)-2-methyl-2-(propan-2-ylamino)pentanoate?
The InChIKey is ROXNFJMPMQHIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-6-19-15(18)16(5,17-12(2)3)11-13(4)20-10-9-14-7-8-14/h12-14,17H,6-11H2,1-5H3.
What are the key properties of ethyl 4-(2-cyclopropylethoxy)-2-methyl-2-(propan-2-ylamino)pentanoate?
ethyl 4-(2-cyclopropylethoxy)-2-methyl-2-(propan-2-ylamino)pentanoate has a molecular weight of 285.43 g/mol, XLogP of 2.90, 10 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-(propan-2-ylamino)pentanoate is sourced from PubChem (CID 106204438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).