ethyl 2-(cycloheptylamino)-4-methoxy-3-methylbutanoate

C15H29NO3 — CID 116502070

IUPACethyl 2-(cycloheptylamino)-4-methoxy-3-methylbutanoate
SMILESCCOC(=O)C(NC1CCCCCC1)C(C)COC
InChIInChI=1S/C15H29NO3/c1-4-19-15(17)14(12(2)11-18-3)16-13-9-7-5-6-8-10-13/h12-14,16H,4-11H2,1-3H3
InChIKeyZDNMURMMNDHGIZ-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.51
Rot. Bonds7

About ethyl 2-(cycloheptylamino)-4-methoxy-3-methylbutanoate

ethyl 2-(cycloheptylamino)-4-methoxy-3-methylbutanoate (PubChem CID 116502070) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is ethyl 2-(cycloheptylamino)-4-methoxy-3-methylbutanoate.

Molecular Properties

Compound Nameethyl 2-(cycloheptylamino)-4-methoxy-3-methylbutanoate
PubChem CID116502070
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Nameethyl 2-(cycloheptylamino)-4-methoxy-3-methylbutanoate
SMILESCCOC(=O)C(NC1CCCCCC1)C(C)COC
InChIInChI=1S/C15H29NO3/c1-4-19-15(17)14(12(2)11-18-3)16-13-9-7-5-6-8-10-13/h12-14,16H,4-11H2,1-3H3
InChIKeyZDNMURMMNDHGIZ-UHFFFAOYSA-N
XLogP2.51
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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methyl 2-(cyclohexylamino)-3-ethylpentanoate
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ethyl (2S,3S)-2-(cyclopentylamino)-3-methoxy-3-phenylpropanoate
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2-(cyclopentylamino)-3-methoxypropanamide
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cyclohexane;diethyl 2-(methoxymethyl)propanedioate
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2-(cycloheptylamino)-4-methoxy-3-methylbutanenitrile
CID 116501957
ethyl 2-(cyclohexylamino)nonanoate
CID 63524115
ethyl (E,4R)-4-(cyclohexylamino)pent-2-enoate
CID 46200258
ethyl 4-(cyclohexylamino)pent-2-enoate
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ethyl (E)-4-(cyclohexylamino)pent-2-enoate
CID 131740586

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cycloheptylamino)-4-methoxy-3-methylbutanoate?
The IUPAC name of ethyl 2-(cycloheptylamino)-4-methoxy-3-methylbutanoate (CID 116502070) is ethyl 2-(cycloheptylamino)-4-methoxy-3-methylbutanoate.
What is the SMILES notation for ethyl 2-(cycloheptylamino)-4-methoxy-3-methylbutanoate?
The canonical SMILES for ethyl 2-(cycloheptylamino)-4-methoxy-3-methylbutanoate is CCOC(=O)C(NC1CCCCCC1)C(C)COC.
What is the InChIKey of ethyl 2-(cycloheptylamino)-4-methoxy-3-methylbutanoate?
The InChIKey is ZDNMURMMNDHGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-4-19-15(17)14(12(2)11-18-3)16-13-9-7-5-6-8-10-13/h12-14,16H,4-11H2,1-3H3.
What are the key properties of ethyl 2-(cycloheptylamino)-4-methoxy-3-methylbutanoate?
ethyl 2-(cycloheptylamino)-4-methoxy-3-methylbutanoate has a molecular weight of 271.40 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cycloheptylamino)-4-methoxy-3-methylbutanoate is sourced from PubChem (CID 116502070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).