N-(2-amino-3-methylbutyl)-5-oxopyrrolidine-3-carboxamide

C10H19N3O2 — CID 81486208

IUPACN-(2-amino-3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)C(N)CNC(=O)C1CNC(=O)C1
InChIInChI=1S/C10H19N3O2/c1-6(2)8(11)5-13-10(15)7-3-9(14)12-4-7/h6-8H,3-5,11H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyZGGPBGMDBKFGCR-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.78
Rot. Bonds4

About N-(2-amino-3-methylbutyl)-5-oxopyrrolidine-3-carboxamide

N-(2-amino-3-methylbutyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 81486208) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-(2-amino-3-methylbutyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID81486208
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC NameN-(2-amino-3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)C(N)CNC(=O)C1CNC(=O)C1
InChIInChI=1S/C10H19N3O2/c1-6(2)8(11)5-13-10(15)7-3-9(14)12-4-7/h6-8H,3-5,11H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyZGGPBGMDBKFGCR-UHFFFAOYSA-N
XLogP-0.78
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 83192944
N-[2-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 78983231
N-(2-ethylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 115613116
N-(2-methylsulfinylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 115764461
N-(3-methoxy-2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 78983025
5-oxo-N-(2,2,3-trimethylbutyl)pyrrolidine-3-carboxamide
CID 102610483
N-[(2R)-2-hydroxypropyl]-6-oxopiperidine-3-carboxamide
CID 103884751
N-(2-aminoethyl)-5-oxopyrrolidine-3-carboxamide
CID 81459469
N-(3-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 78981655
2-methyl-3-[(6-oxopiperidine-3-carbonyl)amino]propanoic acid
CID 83192791
N-(3-aminopropyl)-5-oxopyrrolidine-3-carboxamide
CID 81469853
3-methyl-2-[(5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
CID 81455410

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-methylbutyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2-amino-3-methylbutyl)-5-oxopyrrolidine-3-carboxamide (CID 81486208) is N-(2-amino-3-methylbutyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-amino-3-methylbutyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-amino-3-methylbutyl)-5-oxopyrrolidine-3-carboxamide is CC(C)C(N)CNC(=O)C1CNC(=O)C1.
What is the InChIKey of N-(2-amino-3-methylbutyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZGGPBGMDBKFGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-6(2)8(11)5-13-10(15)7-3-9(14)12-4-7/h6-8H,3-5,11H2,1-2H3,(H,12,14)(H,13,15).
What are the key properties of N-(2-amino-3-methylbutyl)-5-oxopyrrolidine-3-carboxamide?
N-(2-amino-3-methylbutyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 213.28 g/mol, XLogP of -0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-methylbutyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 81486208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).