N-(1-aminohexan-2-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide

C13H25N3O2 — CID 119668568

IUPACN-(1-aminohexan-2-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCCCC(CN)NC(=O)C1CC(=O)N(CC)C1
InChIInChI=1S/C13H25N3O2/c1-3-5-6-11(8-14)15-13(18)10-7-12(17)16(4-2)9-10/h10-11H,3-9,14H2,1-2H3,(H,15,18)
InChIKeyGDYWOYKZPQPECD-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.49
Rot. Bonds7

About N-(1-aminohexan-2-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide

N-(1-aminohexan-2-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 119668568) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide
PubChem CID119668568
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-(1-aminohexan-2-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCCCC(CN)NC(=O)C1CC(=O)N(CC)C1
InChIInChI=1S/C13H25N3O2/c1-3-5-6-11(8-14)15-13(18)10-7-12(17)16(4-2)9-10/h10-11H,3-9,14H2,1-2H3,(H,15,18)
InChIKeyGDYWOYKZPQPECD-UHFFFAOYSA-N
XLogP0.49
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119588613
N-(1-aminohexan-2-yl)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 119665181
N-(1-aminohexan-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119667956
N-(1-aminohexan-2-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 119668556
N-(1-aminohexan-2-yl)cyclohexanecarboxamide
CID 80697500
5-amino-2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-5-oxopentanoic acid
CID 43358672
(3S)-N-[(2R)-butan-2-yl]-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 9398572
N-(1-amino-4-methylpentan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119588212
2-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid
CID 43469719
N-(1-aminohexan-2-yl)-2-(2-oxopiperidin-1-yl)acetamide;hydrochloride
CID 119667628
(3S)-1-butyl-N-[(2R)-6-methylheptan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9399278
(3S)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 40586169

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(1-aminohexan-2-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide (CID 119668568) is N-(1-aminohexan-2-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide is CCCCC(CN)NC(=O)C1CC(=O)N(CC)C1.
What is the InChIKey of N-(1-aminohexan-2-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GDYWOYKZPQPECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-3-5-6-11(8-14)15-13(18)10-7-12(17)16(4-2)9-10/h10-11H,3-9,14H2,1-2H3,(H,15,18).
What are the key properties of N-(1-aminohexan-2-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide?
N-(1-aminohexan-2-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 0.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 119668568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).