(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide;(Z)-oct-2-ene

C15H29N3O2 — CID 143897966

IUPAC(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide;(Z)-oct-2-ene
SMILESC/C=C\CCCCC.NCC(=O)N1CCC[C@H]1C(N)=O
InChIInChI=1S/C8H16.C7H13N3O2/c1-3-5-7-8-6-4-2;8-4-6(11)10-3-1-2-5(10)7(9)12/h3,5H,4,6-8H2,1-2H3;5H,1-4,8H2,(H2,9,12)/b5-3-;/t;5-/m.0/s1
InChIKeyZULMMRQEXULJQR-HDFSRKOLSA-N
MW283.42 g/mol
LogP1.56
Rot. Bonds6

About (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide;(Z)-oct-2-ene

(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide;(Z)-oct-2-ene (PubChem CID 143897966) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide;(Z)-oct-2-ene.

Molecular Properties

Compound Name(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide;(Z)-oct-2-ene
PubChem CID143897966
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide;(Z)-oct-2-ene
SMILESC/C=C\CCCCC.NCC(=O)N1CCC[C@H]1C(N)=O
InChIInChI=1S/C8H16.C7H13N3O2/c1-3-5-7-8-6-4-2;8-4-6(11)10-3-1-2-5(10)7(9)12/h3,5H,4,6-8H2,1-2H3;5H,1-4,8H2,(H2,9,12)/b5-3-;/t;5-/m.0/s1
InChIKeyZULMMRQEXULJQR-HDFSRKOLSA-N
XLogP1.56
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.56
H-Bond Donors ≤ 52
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

N-[(E)-8-amino-2-methyl-8-oxooct-5-en-4-yl]-5-oxopyrrolidine-2-carboxamide
CID 44386090
(2S)-1-[(1R)-cyclohex-2-en-1-yl]-N-hydroxypyrrolidine-2-carboxamide
CID 122372183
(2S)-1-[(1S)-cyclohex-2-en-1-yl]pyrrolidine-2-carboxamide
CID 122372184
(2S)-1-[(1R)-cyclohex-2-en-1-yl]pyrrolidine-2-carboxamide
CID 122372186
(2S)-1-[(1S)-cyclohex-2-en-1-yl]-N-hydroxypyrrolidine-2-carboxamide
CID 122372189
(2S)-1-cyclohex-2-en-1-yl-N-hydroxypyrrolidine-2-carboxamide
CID 139247449
1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 56014571
(2R,4S)-4-fluoro-N-pent-4-en-2-ylpyrrolidine-2-carboxamide
CID 120469628
(2S,4R)-1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-4-fluoropyrrolidine-2-carboxamide
CID 120963254
(2S,4R)-4-fluoro-1-[(E)-hex-3-enyl]pyrrolidine-2-carboxamide
CID 120963311
(2R,4S)-N-cyclopent-3-en-1-yl-4-fluoropyrrolidine-2-carboxamide
CID 130685196
N-[(Z)-1-fluoro-4-prop-2-enylhept-4-en-3-yl]-1-methylpyrrolidine-2-carboxamide
CID 143101764

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide;(Z)-oct-2-ene?
The IUPAC name of (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide;(Z)-oct-2-ene (CID 143897966) is (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide;(Z)-oct-2-ene.
What is the SMILES notation for (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide;(Z)-oct-2-ene?
The canonical SMILES for (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide;(Z)-oct-2-ene is C/C=C\CCCCC.NCC(=O)N1CCC[C@H]1C(N)=O.
What is the InChIKey of (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide;(Z)-oct-2-ene?
The InChIKey is ZULMMRQEXULJQR-HDFSRKOLSA-N. The full InChI is InChI=1S/C8H16.C7H13N3O2/c1-3-5-7-8-6-4-2;8-4-6(11)10-3-1-2-5(10)7(9)12/h3,5H,4,6-8H2,1-2H3;5H,1-4,8H2,(H2,9,12)/b5-3-;/t;5-/m.0/s1.
What are the key properties of (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide;(Z)-oct-2-ene?
(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide;(Z)-oct-2-ene has a molecular weight of 283.42 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide;(Z)-oct-2-ene is sourced from PubChem (CID 143897966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).