ethyl 5-[cyclopropylmethyl(ethoxycarbonyl)amino]-5-oxopentanoate

C14H23NO5 — CID 67572693

IUPACethyl 5-[cyclopropylmethyl(ethoxycarbonyl)amino]-5-oxopentanoate
SMILESCCOC(=O)CCCC(=O)N(CC1CC1)C(=O)OCC
InChIInChI=1S/C14H23NO5/c1-3-19-13(17)7-5-6-12(16)15(10-11-8-9-11)14(18)20-4-2/h11H,3-10H2,1-2H3
InChIKeyBIARUASJEDVIBD-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.11
Rot. Bonds8

About ethyl 5-[cyclopropylmethyl(ethoxycarbonyl)amino]-5-oxopentanoate

ethyl 5-[cyclopropylmethyl(ethoxycarbonyl)amino]-5-oxopentanoate (PubChem CID 67572693) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is ethyl 5-[cyclopropylmethyl(ethoxycarbonyl)amino]-5-oxopentanoate.

Molecular Properties

Compound Nameethyl 5-[cyclopropylmethyl(ethoxycarbonyl)amino]-5-oxopentanoate
PubChem CID67572693
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Nameethyl 5-[cyclopropylmethyl(ethoxycarbonyl)amino]-5-oxopentanoate
SMILESCCOC(=O)CCCC(=O)N(CC1CC1)C(=O)OCC
InChIInChI=1S/C14H23NO5/c1-3-19-13(17)7-5-6-12(16)15(10-11-8-9-11)14(18)20-4-2/h11H,3-10H2,1-2H3
InChIKeyBIARUASJEDVIBD-UHFFFAOYSA-N
XLogP2.11
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-(cyclopropylmethyl)-N-methylcarbamate
CID 56630392
ethyl N-cyclopropyl-N-(cyclopropylmethyl)carbamate
CID 63101705
diethyl hexanedioate
CID 160747628
ethyl N-(cyclopropylmethyl)-N-propylcarbamate
CID 60637808
ethyl 4-[cyclobutylmethyl(methyl)amino]-4-oxobutanoate
CID 63939436
diethyl icosanedioate
CID 5058538
ethyl hexanoate;rhodium
CID 87383837
5-ethoxy-5-oxopentaneperoxoic acid
CID 15430781
5-ethoxy-5-oxopentanoic acid;pentanedioic acid
CID 161278417
ethyl 4-piperidin-1-ium-4-ylbutanoate
CID 27282174
ethyl 4-piperidin-4-ylbutanoate
CID 10631848
1-O-ethyl 5-O-(methoxymethyl) pentanedioate
CID 174421826

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[cyclopropylmethyl(ethoxycarbonyl)amino]-5-oxopentanoate?
The IUPAC name of ethyl 5-[cyclopropylmethyl(ethoxycarbonyl)amino]-5-oxopentanoate (CID 67572693) is ethyl 5-[cyclopropylmethyl(ethoxycarbonyl)amino]-5-oxopentanoate.
What is the SMILES notation for ethyl 5-[cyclopropylmethyl(ethoxycarbonyl)amino]-5-oxopentanoate?
The canonical SMILES for ethyl 5-[cyclopropylmethyl(ethoxycarbonyl)amino]-5-oxopentanoate is CCOC(=O)CCCC(=O)N(CC1CC1)C(=O)OCC.
What is the InChIKey of ethyl 5-[cyclopropylmethyl(ethoxycarbonyl)amino]-5-oxopentanoate?
The InChIKey is BIARUASJEDVIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5/c1-3-19-13(17)7-5-6-12(16)15(10-11-8-9-11)14(18)20-4-2/h11H,3-10H2,1-2H3.
What are the key properties of ethyl 5-[cyclopropylmethyl(ethoxycarbonyl)amino]-5-oxopentanoate?
ethyl 5-[cyclopropylmethyl(ethoxycarbonyl)amino]-5-oxopentanoate has a molecular weight of 285.34 g/mol, XLogP of 2.11, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[cyclopropylmethyl(ethoxycarbonyl)amino]-5-oxopentanoate is sourced from PubChem (CID 67572693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).