[(2R)-2-(pent-4-enoylamino)propyl] pent-4-enoate

C13H21NO3 — CID 6709762

IUPAC[(2R)-2-(pent-4-enoylamino)propyl] pent-4-enoate
SMILESC=CCCC(=O)N[C@H](C)COC(=O)CCC=C
InChIInChI=1S/C13H21NO3/c1-4-6-8-12(15)14-11(3)10-17-13(16)9-7-5-2/h4-5,11H,1-2,6-10H2,3H3,(H,14,15)/t11-/m1/s1
InChIKeyKYFACUIDJBPISI-LLVKDONJSA-N
MW239.31 g/mol
LogP1.97
Rot. Bonds9

About [(2R)-2-(pent-4-enoylamino)propyl] pent-4-enoate

[(2R)-2-(pent-4-enoylamino)propyl] pent-4-enoate (PubChem CID 6709762) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is [(2R)-2-(pent-4-enoylamino)propyl] pent-4-enoate.

Molecular Properties

Compound Name[(2R)-2-(pent-4-enoylamino)propyl] pent-4-enoate
PubChem CID6709762
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name[(2R)-2-(pent-4-enoylamino)propyl] pent-4-enoate
SMILESC=CCCC(=O)N[C@H](C)COC(=O)CCC=C
InChIInChI=1S/C13H21NO3/c1-4-6-8-12(15)14-11(3)10-17-13(16)9-7-5-2/h4-5,11H,1-2,6-10H2,3H3,(H,14,15)/t11-/m1/s1
InChIKeyKYFACUIDJBPISI-LLVKDONJSA-N
XLogP1.97
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.97
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

[(2S)-2-(pent-4-enoylamino)propyl] (2R)-2-methylpent-4-enoate
CID 118867085
[(2S)-3-methyl-2-(pent-4-enoylamino)pentyl] pent-4-enoate
CID 101078959
N-[(2R)-1-aminopropan-2-yl]pent-4-enamide
CID 104872907
[3-methyl-2-(pent-4-enoylamino)butyl] hex-5-enoate
CID 134886921
3-(pent-4-enoylamino)butanoic acid
CID 62683470
[2-(methylamino)-2-oxoethyl] pent-4-enoate
CID 163471503
(2S,3R)-3-methyl-2-(pent-4-enoylamino)pentanoic acid
CID 94547326
ethyl pent-4-enoate;dihydrochloride
CID 175912482
bis(2-methylpropyl) butanedioate;prop-1-ene
CID 159366466
2-[2-[2-(1-hydroxypropan-2-ylamino)-2-oxoethyl]pent-4-enoylamino]ethyl pent-4-enoate
CID 4688810
(2S)-3-[(2S)-2-hydroxypropoxy]-2-(pent-4-enoylamino)propanoic acid
CID 146471608
4-O-(2-methylpropyl) 1-O-[(2R)-2-(pent-4-enoylamino)-2-phenylethyl] 2-prop-2-enylbutanedioate
CID 118867349

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(pent-4-enoylamino)propyl] pent-4-enoate?
The IUPAC name of [(2R)-2-(pent-4-enoylamino)propyl] pent-4-enoate (CID 6709762) is [(2R)-2-(pent-4-enoylamino)propyl] pent-4-enoate.
What is the SMILES notation for [(2R)-2-(pent-4-enoylamino)propyl] pent-4-enoate?
The canonical SMILES for [(2R)-2-(pent-4-enoylamino)propyl] pent-4-enoate is C=CCCC(=O)N[C@H](C)COC(=O)CCC=C.
What is the InChIKey of [(2R)-2-(pent-4-enoylamino)propyl] pent-4-enoate?
The InChIKey is KYFACUIDJBPISI-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21NO3/c1-4-6-8-12(15)14-11(3)10-17-13(16)9-7-5-2/h4-5,11H,1-2,6-10H2,3H3,(H,14,15)/t11-/m1/s1.
What are the key properties of [(2R)-2-(pent-4-enoylamino)propyl] pent-4-enoate?
[(2R)-2-(pent-4-enoylamino)propyl] pent-4-enoate has a molecular weight of 239.31 g/mol, XLogP of 1.97, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(pent-4-enoylamino)propyl] pent-4-enoate is sourced from PubChem (CID 6709762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).