N-(4-amino-2-methyl-4-oxobutan-2-yl)pyrrolidine-1-carboxamide

C10H19N3O2 — CID 106096157

IUPACN-(4-amino-2-methyl-4-oxobutan-2-yl)pyrrolidine-1-carboxamide
SMILESCC(C)(CC(N)=O)NC(=O)N1CCCC1
InChIInChI=1S/C10H19N3O2/c1-10(2,7-8(11)14)12-9(15)13-5-3-4-6-13/h3-7H2,1-2H3,(H2,11,14)(H,12,15)
InChIKeyRSZLQWLUYHSXML-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.45
Rot. Bonds3

About N-(4-amino-2-methyl-4-oxobutan-2-yl)pyrrolidine-1-carboxamide

N-(4-amino-2-methyl-4-oxobutan-2-yl)pyrrolidine-1-carboxamide (PubChem CID 106096157) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-(4-amino-2-methyl-4-oxobutan-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-methyl-4-oxobutan-2-yl)pyrrolidine-1-carboxamide
PubChem CID106096157
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC NameN-(4-amino-2-methyl-4-oxobutan-2-yl)pyrrolidine-1-carboxamide
SMILESCC(C)(CC(N)=O)NC(=O)N1CCCC1
InChIInChI=1S/C10H19N3O2/c1-10(2,7-8(11)14)12-9(15)13-5-3-4-6-13/h3-7H2,1-2H3,(H2,11,14)(H,12,15)
InChIKeyRSZLQWLUYHSXML-UHFFFAOYSA-N
XLogP0.45
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-3-(pyrrolidine-1-carbonylamino)butanoic acid
CID 64700424
3-methyl-3-(piperidine-1-carbonylamino)butanoic acid
CID 64701995
N-(2-methylbutan-2-yl)azepane-1-carboxamide
CID 116653730
2-[1-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]azetidin-3-yl]acetic acid
CID 106097982
2-[4-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]morpholin-2-yl]acetic acid
CID 106097890
3-methyl-3-[(4-methylazepane-1-carbonyl)amino]butanoic acid
CID 64700727
N-(3-hydroxy-2,3-dimethylbutan-2-yl)pyrrolidine-1-carboxamide
CID 104594555
3-[(3-aminopiperidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 64701839
3-[(4-tert-butylazepane-1-carbonyl)amino]-3-methylbutanoic acid
CID 64701528
3-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]-3-methylbutanoic acid
CID 64700072
3-methyl-3-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 64700228
N-(1-amino-2-methylpropan-2-yl)-4-methylpiperazine-1-carboxamide
CID 82508951

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methyl-4-oxobutan-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(4-amino-2-methyl-4-oxobutan-2-yl)pyrrolidine-1-carboxamide (CID 106096157) is N-(4-amino-2-methyl-4-oxobutan-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(4-amino-2-methyl-4-oxobutan-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(4-amino-2-methyl-4-oxobutan-2-yl)pyrrolidine-1-carboxamide is CC(C)(CC(N)=O)NC(=O)N1CCCC1.
What is the InChIKey of N-(4-amino-2-methyl-4-oxobutan-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is RSZLQWLUYHSXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-10(2,7-8(11)14)12-9(15)13-5-3-4-6-13/h3-7H2,1-2H3,(H2,11,14)(H,12,15).
What are the key properties of N-(4-amino-2-methyl-4-oxobutan-2-yl)pyrrolidine-1-carboxamide?
N-(4-amino-2-methyl-4-oxobutan-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 213.28 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methyl-4-oxobutan-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 106096157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).