methyl 2-(3-cyclopentylpropanoylamino)-4-methylpentanoate

C15H27NO3 — CID 531445

IUPACmethyl 2-(3-cyclopentylpropanoylamino)-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)CCC1CCCC1
InChIInChI=1S/C15H27NO3/c1-11(2)10-13(15(18)19-3)16-14(17)9-8-12-6-4-5-7-12/h11-13H,4-10H2,1-3H3,(H,16,17)
InChIKeyJNEWIBUQLCHVIJ-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.66
Rot. Bonds7

About methyl 2-(3-cyclopentylpropanoylamino)-4-methylpentanoate

methyl 2-(3-cyclopentylpropanoylamino)-4-methylpentanoate (PubChem CID 531445) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is methyl 2-(3-cyclopentylpropanoylamino)-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-(3-cyclopentylpropanoylamino)-4-methylpentanoate
PubChem CID531445
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Namemethyl 2-(3-cyclopentylpropanoylamino)-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)CCC1CCCC1
InChIInChI=1S/C15H27NO3/c1-11(2)10-13(15(18)19-3)16-14(17)9-8-12-6-4-5-7-12/h11-13H,4-10H2,1-3H3,(H,16,17)
InChIKeyJNEWIBUQLCHVIJ-UHFFFAOYSA-N
XLogP2.66
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3-cyclohexylpropanoylamino)-4-methylpentanoic acid
CID 10539933
methyl 2-(3-cyclopentylpropanoylamino)-3-(3-cyclopentylpropanoylsulfanyl)propanoate
CID 531450
methyl (2S)-2-(3-cyclohexylpropoxycarbonylamino)-4-methylpentanoate
CID 175392197
methyl 2-[[2-(cyclopentylamino)acetyl]amino]-4-methylpentanoate
CID 60687231
methyl (2S)-2-(3-aminopropanoylamino)-4-methylpentanoate
CID 103954799
methyl (2S)-4-methyl-2-(4-oxopentanoylamino)pentanoate
CID 11973839
methyl (2S)-4-methyl-2-(pent-4-ynoylamino)pentanoate
CID 101422018
(2S)-4-methyl-2-(3-piperidin-4-ylpropanoylamino)pentanoic acid
CID 62210939
3-cyclopentyl-N-(2-methylpropoxy)propanamide
CID 115409709
methyl (2S)-4-methyl-2-[4-(methylamino)butanoylamino]pentanoate
CID 113358137
methyl (3S)-3-[[(2S)-2-(3-cyclohexylpropanoylamino)-4-methylpentanoyl]amino]-2-oxo-4-phenylbutanoate
CID 24906121
methyl (2S)-2-(3,3-dimethylbutanoylamino)-4-methylpentanoate
CID 22872263

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-cyclopentylpropanoylamino)-4-methylpentanoate?
The IUPAC name of methyl 2-(3-cyclopentylpropanoylamino)-4-methylpentanoate (CID 531445) is methyl 2-(3-cyclopentylpropanoylamino)-4-methylpentanoate.
What is the SMILES notation for methyl 2-(3-cyclopentylpropanoylamino)-4-methylpentanoate?
The canonical SMILES for methyl 2-(3-cyclopentylpropanoylamino)-4-methylpentanoate is COC(=O)C(CC(C)C)NC(=O)CCC1CCCC1.
What is the InChIKey of methyl 2-(3-cyclopentylpropanoylamino)-4-methylpentanoate?
The InChIKey is JNEWIBUQLCHVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-11(2)10-13(15(18)19-3)16-14(17)9-8-12-6-4-5-7-12/h11-13H,4-10H2,1-3H3,(H,16,17).
What are the key properties of methyl 2-(3-cyclopentylpropanoylamino)-4-methylpentanoate?
methyl 2-(3-cyclopentylpropanoylamino)-4-methylpentanoate has a molecular weight of 269.38 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-cyclopentylpropanoylamino)-4-methylpentanoate is sourced from PubChem (CID 531445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).