ethyl 3-(cyclopentylmethoxy)-2-(ethylamino)propanoate

C13H25NO3 — CID 66324378

IUPACethyl 3-(cyclopentylmethoxy)-2-(ethylamino)propanoate
SMILESCCNC(COCC1CCCC1)C(=O)OCC
InChIInChI=1S/C13H25NO3/c1-3-14-12(13(15)17-4-2)10-16-9-11-7-5-6-8-11/h11-12,14H,3-10H2,1-2H3
InChIKeyXPYGRPWCOGVOFE-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.73
Rot. Bonds8

About ethyl 3-(cyclopentylmethoxy)-2-(ethylamino)propanoate

ethyl 3-(cyclopentylmethoxy)-2-(ethylamino)propanoate (PubChem CID 66324378) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is ethyl 3-(cyclopentylmethoxy)-2-(ethylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(cyclopentylmethoxy)-2-(ethylamino)propanoate
PubChem CID66324378
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nameethyl 3-(cyclopentylmethoxy)-2-(ethylamino)propanoate
SMILESCCNC(COCC1CCCC1)C(=O)OCC
InChIInChI=1S/C13H25NO3/c1-3-14-12(13(15)17-4-2)10-16-9-11-7-5-6-8-11/h11-12,14H,3-10H2,1-2H3
InChIKeyXPYGRPWCOGVOFE-UHFFFAOYSA-N
XLogP1.73
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclohexylmethoxy)-2-(ethylamino)propanamide
CID 62382846
4-(cyclohexylmethoxy)-2-(ethylamino)butanoic acid
CID 63034967
ethyl 3-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)propanoate
CID 64745584
1-O-(cyclopentylmethyl) 3-O-ethyl 2-ethylpropanedioate
CID 174749024
ethyl 2-(ethylamino)-4-[4-(methoxymethyl)piperidin-1-yl]butanoate
CID 63972958
ethyl 2-methyl-3-(oxolan-3-ylmethoxy)propanoate
CID 115001681
ethyl 2-(ethylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoate
CID 63165522
cyclopentylmethoxymethyl 2-methylbutanoate
CID 59189145
methyl 3-(cyclopentylmethylsulfanyl)-2-(ethylamino)propanoate
CID 63120085
3-(cyclohexylmethoxy)-N'-hydroxy-2-methylpropanimidamide
CID 115001618
methyl 2-acetamido-3-(cyclopropylmethoxy)propanoate
CID 65443972
ethyl 2-(cyclopentylmethoxymethyl)prop-2-enoate
CID 66322359

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(cyclopentylmethoxy)-2-(ethylamino)propanoate?
The IUPAC name of ethyl 3-(cyclopentylmethoxy)-2-(ethylamino)propanoate (CID 66324378) is ethyl 3-(cyclopentylmethoxy)-2-(ethylamino)propanoate.
What is the SMILES notation for ethyl 3-(cyclopentylmethoxy)-2-(ethylamino)propanoate?
The canonical SMILES for ethyl 3-(cyclopentylmethoxy)-2-(ethylamino)propanoate is CCNC(COCC1CCCC1)C(=O)OCC.
What is the InChIKey of ethyl 3-(cyclopentylmethoxy)-2-(ethylamino)propanoate?
The InChIKey is XPYGRPWCOGVOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-3-14-12(13(15)17-4-2)10-16-9-11-7-5-6-8-11/h11-12,14H,3-10H2,1-2H3.
What are the key properties of ethyl 3-(cyclopentylmethoxy)-2-(ethylamino)propanoate?
ethyl 3-(cyclopentylmethoxy)-2-(ethylamino)propanoate has a molecular weight of 243.35 g/mol, XLogP of 1.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(cyclopentylmethoxy)-2-(ethylamino)propanoate is sourced from PubChem (CID 66324378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).