but-3-enyl (2R)-2-[(2-cyclopentylacetyl)amino]propanoate

C14H23NO3 — CID 97003915

IUPACbut-3-enyl (2R)-2-[(2-cyclopentylacetyl)amino]propanoate
SMILESC=CCCOC(=O)[C@@H](C)NC(=O)CC1CCCC1
InChIInChI=1S/C14H23NO3/c1-3-4-9-18-14(17)11(2)15-13(16)10-12-7-5-6-8-12/h3,11-12H,1,4-10H2,2H3,(H,15,16)/t11-/m1/s1
InChIKeyBFKRIEIVBLDXPH-LLVKDONJSA-N
MW253.34 g/mol
LogP2.19
Rot. Bonds7

About but-3-enyl (2R)-2-[(2-cyclopentylacetyl)amino]propanoate

but-3-enyl (2R)-2-[(2-cyclopentylacetyl)amino]propanoate (PubChem CID 97003915) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is but-3-enyl (2R)-2-[(2-cyclopentylacetyl)amino]propanoate.

Molecular Properties

Compound Namebut-3-enyl (2R)-2-[(2-cyclopentylacetyl)amino]propanoate
PubChem CID97003915
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Namebut-3-enyl (2R)-2-[(2-cyclopentylacetyl)amino]propanoate
SMILESC=CCCOC(=O)[C@@H](C)NC(=O)CC1CCCC1
InChIInChI=1S/C14H23NO3/c1-3-4-9-18-14(17)11(2)15-13(16)10-12-7-5-6-8-12/h3,11-12H,1,4-10H2,2H3,(H,15,16)/t11-/m1/s1
InChIKeyBFKRIEIVBLDXPH-LLVKDONJSA-N
XLogP2.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

but-3-enyl (2S)-2-[(2-cyclohexylacetyl)amino]propanoate
CID 95572887
methyl (2S)-2-[(2-cyclopentylacetyl)amino]propanoate
CID 54564390
(2S)-2-[(2-cyclohexylacetyl)amino]propanoic acid
CID 51604978
tert-butyl (2S)-2-[(2-cycloheptylacetyl)amino]propanoate
CID 103822349
but-3-enyl (2R)-2-(oxane-4-carbonylamino)propanoate
CID 95177981
tert-butyl (2S)-2-[(2-cyclobutylacetyl)amino]propanoate
CID 103822364
N-[(2S)-1-aminopropan-2-yl]-2-cycloheptylacetamide
CID 120507495
2-[(2-cyclohexylacetyl)amino]-N-[1-(methylamino)-1-oxopropan-2-yl]propanamide
CID 51103870
N-[(2S)-1-aminopropan-2-yl]-2-[(2-cyclohexylacetyl)amino]propanamide;hydrochloride
CID 120508255
bis(but-3-enyl) 2-methylpropanedioate
CID 90481204
N-(3-aminobutyl)-2-[(2-cyclohexylacetyl)amino]propanamide
CID 119499014
2-(4-aminocyclohexyl)-N-propan-2-ylacetamide
CID 62777737

Frequently Asked Questions

What is the IUPAC name of but-3-enyl (2R)-2-[(2-cyclopentylacetyl)amino]propanoate?
The IUPAC name of but-3-enyl (2R)-2-[(2-cyclopentylacetyl)amino]propanoate (CID 97003915) is but-3-enyl (2R)-2-[(2-cyclopentylacetyl)amino]propanoate.
What is the SMILES notation for but-3-enyl (2R)-2-[(2-cyclopentylacetyl)amino]propanoate?
The canonical SMILES for but-3-enyl (2R)-2-[(2-cyclopentylacetyl)amino]propanoate is C=CCCOC(=O)[C@@H](C)NC(=O)CC1CCCC1.
What is the InChIKey of but-3-enyl (2R)-2-[(2-cyclopentylacetyl)amino]propanoate?
The InChIKey is BFKRIEIVBLDXPH-LLVKDONJSA-N. The full InChI is InChI=1S/C14H23NO3/c1-3-4-9-18-14(17)11(2)15-13(16)10-12-7-5-6-8-12/h3,11-12H,1,4-10H2,2H3,(H,15,16)/t11-/m1/s1.
What are the key properties of but-3-enyl (2R)-2-[(2-cyclopentylacetyl)amino]propanoate?
but-3-enyl (2R)-2-[(2-cyclopentylacetyl)amino]propanoate has a molecular weight of 253.34 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enyl (2R)-2-[(2-cyclopentylacetyl)amino]propanoate is sourced from PubChem (CID 97003915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).