(3S)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

C15H27N3O3 — CID 94092193

IUPAC(3S)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N1C[C@@H](C(=O)N(C)CC(=O)NC(C)(C)C)CC1=O
InChIInChI=1S/C15H27N3O3/c1-10(2)18-8-11(7-13(18)20)14(21)17(6)9-12(19)16-15(3,4)5/h10-11H,7-9H2,1-6H3,(H,16,19)/t11-/m0/s1
InChIKeyBWAAGXBEQWRFKW-NSHDSACASA-N
MW297.40 g/mol
LogP0.62
Rot. Bonds4

About (3S)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

(3S)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 94092193) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is (3S)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID94092193
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name(3S)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N1C[C@@H](C(=O)N(C)CC(=O)NC(C)(C)C)CC1=O
InChIInChI=1S/C15H27N3O3/c1-10(2)18-8-11(7-13(18)20)14(21)17(6)9-12(19)16-15(3,4)5/h10-11H,7-9H2,1-6H3,(H,16,19)/t11-/m0/s1
InChIKeyBWAAGXBEQWRFKW-NSHDSACASA-N
XLogP0.62
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (CID 94092193) is (3S)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is CC(C)N1C[C@@H](C(=O)N(C)CC(=O)NC(C)(C)C)CC1=O.
What is the InChIKey of (3S)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is BWAAGXBEQWRFKW-NSHDSACASA-N. The full InChI is InChI=1S/C15H27N3O3/c1-10(2)18-8-11(7-13(18)20)14(21)17(6)9-12(19)16-15(3,4)5/h10-11H,7-9H2,1-6H3,(H,16,19)/t11-/m0/s1.
What are the key properties of (3S)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
(3S)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 94092193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).