(2S,4R)-4-amino-1-[(Z)-hept-4-enyl]-N-propan-2-ylpyrrolidine-2-carboxamide

C15H29N3O — CID 56712238

IUPAC(2S,4R)-4-amino-1-[(Z)-hept-4-enyl]-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC/C=C\CCCN1C[C@H](N)C[C@H]1C(=O)NC(C)C
InChIInChI=1S/C15H29N3O/c1-4-5-6-7-8-9-18-11-13(16)10-14(18)15(19)17-12(2)3/h5-6,12-14H,4,7-11,16H2,1-3H3,(H,17,19)/b6-5-/t13-,14+/m1/s1
InChIKeyHUYITDYXVGLURW-QJTIAFMVSA-N
MW267.42 g/mol
LogP1.66
Rot. Bonds7

About (2S,4R)-4-amino-1-[(Z)-hept-4-enyl]-N-propan-2-ylpyrrolidine-2-carboxamide

(2S,4R)-4-amino-1-[(Z)-hept-4-enyl]-N-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 56712238) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is (2S,4R)-4-amino-1-[(Z)-hept-4-enyl]-N-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-amino-1-[(Z)-hept-4-enyl]-N-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID56712238
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name(2S,4R)-4-amino-1-[(Z)-hept-4-enyl]-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC/C=C\CCCN1C[C@H](N)C[C@H]1C(=O)NC(C)C
InChIInChI=1S/C15H29N3O/c1-4-5-6-7-8-9-18-11-13(16)10-14(18)15(19)17-12(2)3/h5-6,12-14H,4,7-11,16H2,1-3H3,(H,17,19)/b6-5-/t13-,14+/m1/s1
InChIKeyHUYITDYXVGLURW-QJTIAFMVSA-N
XLogP1.66
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.66
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,4S)-N-[(9Z,12Z)-octadeca-9,12-dienyl]-4-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-2-carboxamide
CID 89625314
N-octadeca-9,12-dienyl-4-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-2-carboxamide
CID 123518903
5-oxo-1-propan-2-yl-N-prop-2-enylpyrrolidine-2-carboxamide
CID 15991840
(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
4,4-difluoro-N-pent-4-en-2-ylpyrrolidine-2-carboxamide
CID 120350194
(2R,4S)-4-fluoro-N-pent-4-en-2-ylpyrrolidine-2-carboxamide
CID 120469628
(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
(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-pyrrolidin-2-ylmethanone
CID 131091783
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,4R)-4-amino-1-[(Z)-hept-4-enyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-amino-1-[(Z)-hept-4-enyl]-N-propan-2-ylpyrrolidine-2-carboxamide (CID 56712238) is (2S,4R)-4-amino-1-[(Z)-hept-4-enyl]-N-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-amino-1-[(Z)-hept-4-enyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-amino-1-[(Z)-hept-4-enyl]-N-propan-2-ylpyrrolidine-2-carboxamide is CC/C=C\CCCN1C[C@H](N)C[C@H]1C(=O)NC(C)C.
What is the InChIKey of (2S,4R)-4-amino-1-[(Z)-hept-4-enyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is HUYITDYXVGLURW-QJTIAFMVSA-N. The full InChI is InChI=1S/C15H29N3O/c1-4-5-6-7-8-9-18-11-13(16)10-14(18)15(19)17-12(2)3/h5-6,12-14H,4,7-11,16H2,1-3H3,(H,17,19)/b6-5-/t13-,14+/m1/s1.
What are the key properties of (2S,4R)-4-amino-1-[(Z)-hept-4-enyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
(2S,4R)-4-amino-1-[(Z)-hept-4-enyl]-N-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 267.42 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-amino-1-[(Z)-hept-4-enyl]-N-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 56712238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).