ethyl 3-cyclopentyloxy-2-cyclopropyl-2-(propan-2-ylamino)propanoate

C16H29NO3 — CID 63920958

IUPACethyl 3-cyclopentyloxy-2-cyclopropyl-2-(propan-2-ylamino)propanoate
SMILESCCOC(=O)C(COC1CCCC1)(NC(C)C)C1CC1
InChIInChI=1S/C16H29NO3/c1-4-19-15(18)16(13-9-10-13,17-12(2)3)11-20-14-7-5-6-8-14/h12-14,17H,4-11H2,1-3H3
InChIKeyHLSPQBUINRXNRJ-UHFFFAOYSA-N
MW283.41 g/mol
LogP2.66
Rot. Bonds8

About ethyl 3-cyclopentyloxy-2-cyclopropyl-2-(propan-2-ylamino)propanoate

ethyl 3-cyclopentyloxy-2-cyclopropyl-2-(propan-2-ylamino)propanoate (PubChem CID 63920958) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is ethyl 3-cyclopentyloxy-2-cyclopropyl-2-(propan-2-ylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-cyclopentyloxy-2-cyclopropyl-2-(propan-2-ylamino)propanoate
PubChem CID63920958
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Nameethyl 3-cyclopentyloxy-2-cyclopropyl-2-(propan-2-ylamino)propanoate
SMILESCCOC(=O)C(COC1CCCC1)(NC(C)C)C1CC1
InChIInChI=1S/C16H29NO3/c1-4-19-15(18)16(13-9-10-13,17-12(2)3)11-20-14-7-5-6-8-14/h12-14,17H,4-11H2,1-3H3
InChIKeyHLSPQBUINRXNRJ-UHFFFAOYSA-N
XLogP2.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-cyclopropyl-3-(oxolan-3-yloxy)-2-(propan-2-ylamino)propanoate
CID 63921391
ethyl 2-cyclopropyl-3-(2-methylpropylsulfanyl)-2-(propan-2-ylamino)propanoate
CID 63916082
ethyl 2-cyclopropyl-3-pentoxy-2-(propan-2-ylamino)propanoate
CID 63920206
ethyl 2-cyclopropyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-(propan-2-ylamino)propanoate
CID 79178055
ethyl 2-cyclopropyl-3-(3,5-dimethylcyclohexyl)oxy-2-(methylamino)propanoate
CID 64730026
2-cyclopropyl-3-(3-methylcyclohexyl)oxy-2-(propan-2-ylamino)propanamide
CID 63919936
ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-(oxan-4-yloxy)propanoate
CID 63920321
ethyl 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propan-2-ylamino)propanoate
CID 63909152
ethyl 2-cyclopropyl-3-(2,3-dihydroxypropylsulfanyl)-2-(propan-2-ylamino)propanoate
CID 79672422
2-cyclopropyl-3-(oxetan-3-yloxy)-2-(propan-2-ylamino)propanoic acid
CID 102607546
ethyl 2-cyclopropyl-2-(propan-2-ylamino)-3-pyrimidin-2-ylsulfanylpropanoate
CID 63915936
methyl 2-cyclopropyl-3-[(2-methylpropan-2-yl)oxy]-2-(propan-2-ylamino)propanoate
CID 63921517

Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyclopentyloxy-2-cyclopropyl-2-(propan-2-ylamino)propanoate?
The IUPAC name of ethyl 3-cyclopentyloxy-2-cyclopropyl-2-(propan-2-ylamino)propanoate (CID 63920958) is ethyl 3-cyclopentyloxy-2-cyclopropyl-2-(propan-2-ylamino)propanoate.
What is the SMILES notation for ethyl 3-cyclopentyloxy-2-cyclopropyl-2-(propan-2-ylamino)propanoate?
The canonical SMILES for ethyl 3-cyclopentyloxy-2-cyclopropyl-2-(propan-2-ylamino)propanoate is CCOC(=O)C(COC1CCCC1)(NC(C)C)C1CC1.
What is the InChIKey of ethyl 3-cyclopentyloxy-2-cyclopropyl-2-(propan-2-ylamino)propanoate?
The InChIKey is HLSPQBUINRXNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-4-19-15(18)16(13-9-10-13,17-12(2)3)11-20-14-7-5-6-8-14/h12-14,17H,4-11H2,1-3H3.
What are the key properties of ethyl 3-cyclopentyloxy-2-cyclopropyl-2-(propan-2-ylamino)propanoate?
ethyl 3-cyclopentyloxy-2-cyclopropyl-2-(propan-2-ylamino)propanoate has a molecular weight of 283.41 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyclopentyloxy-2-cyclopropyl-2-(propan-2-ylamino)propanoate is sourced from PubChem (CID 63920958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).