methyl 2-acetamido-5-(cyclohexen-1-yl)pentanoate

C14H23NO3 — CID 134859552

IUPACmethyl 2-acetamido-5-(cyclohexen-1-yl)pentanoate
SMILESCOC(=O)C(CCCC1=CCCCC1)NC(C)=O
InChIInChI=1S/C14H23NO3/c1-11(16)15-13(14(17)18-2)10-6-9-12-7-4-3-5-8-12/h7,13H,3-6,8-10H2,1-2H3,(H,15,16)
InChIKeyINGWZGMJFPEILA-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.33
Rot. Bonds6

About methyl 2-acetamido-5-(cyclohexen-1-yl)pentanoate

methyl 2-acetamido-5-(cyclohexen-1-yl)pentanoate (PubChem CID 134859552) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is methyl 2-acetamido-5-(cyclohexen-1-yl)pentanoate.

Molecular Properties

Compound Namemethyl 2-acetamido-5-(cyclohexen-1-yl)pentanoate
PubChem CID134859552
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Namemethyl 2-acetamido-5-(cyclohexen-1-yl)pentanoate
SMILESCOC(=O)C(CCCC1=CCCCC1)NC(C)=O
InChIInChI=1S/C14H23NO3/c1-11(16)15-13(14(17)18-2)10-6-9-12-7-4-3-5-8-12/h7,13H,3-6,8-10H2,1-2H3,(H,15,16)
InChIKeyINGWZGMJFPEILA-UHFFFAOYSA-N
XLogP2.33
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-6-amino-2-[[(Z)-octadec-9-enoyl]amino]hexanoate;hydrochloride
CID 155549500
(z)-N-(hexadec-9-enoyl)alanine methyl ester
CID 145949512
(Z)-N-16-hydroxyhexadec-9-enoyl-L-alanine methyl ester
CID 139589881
N-[(Z)-hexadec-9-enoyl]-2-aminobutyric acid methyl ester (C16:1-NABME)
CID 156581862
N-oleoyl-L-lysine zwitterion
CID 146170873
(Z)-N-15-carboxypentadec-9-enoyl-L-alanine methyl ester
CID 139589880
N-[(Z)-hexadec-9-enoyl]valine methyl ester (Z9-C16:1-NAVME)
CID 156581863
methyl 2-[[(Z)-hexadec-9-enoyl]amino]-3-methylbutanoate
CID 169491732
(S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-(cyclopent-1-en-1-yl)propanoate
CID 11680590
Ethyl (2S)-2-acetamidonon-8-enoate
CID 53993646
methyl (2R)-3-(cyclopenten-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 69934114
(2S)-2-[[2-(cyclohexen-1-yl)acetyl]amino]-3-methylbutanoic acid
CID 63563650

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-5-(cyclohexen-1-yl)pentanoate?
The IUPAC name of methyl 2-acetamido-5-(cyclohexen-1-yl)pentanoate (CID 134859552) is methyl 2-acetamido-5-(cyclohexen-1-yl)pentanoate.
What is the SMILES notation for methyl 2-acetamido-5-(cyclohexen-1-yl)pentanoate?
The canonical SMILES for methyl 2-acetamido-5-(cyclohexen-1-yl)pentanoate is COC(=O)C(CCCC1=CCCCC1)NC(C)=O.
What is the InChIKey of methyl 2-acetamido-5-(cyclohexen-1-yl)pentanoate?
The InChIKey is INGWZGMJFPEILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-11(16)15-13(14(17)18-2)10-6-9-12-7-4-3-5-8-12/h7,13H,3-6,8-10H2,1-2H3,(H,15,16).
What are the key properties of methyl 2-acetamido-5-(cyclohexen-1-yl)pentanoate?
methyl 2-acetamido-5-(cyclohexen-1-yl)pentanoate has a molecular weight of 253.34 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-5-(cyclohexen-1-yl)pentanoate is sourced from PubChem (CID 134859552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).