(2S)-2-amino-3,3-dimethyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)butanamide

C13H25N3O2 — CID 119785943

IUPAC(2S)-2-amino-3,3-dimethyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)butanamide
SMILESCC(C)N1CCC(NC(=O)[C@@H](N)C(C)(C)C)C1=O
InChIInChI=1S/C13H25N3O2/c1-8(2)16-7-6-9(12(16)18)15-11(17)10(14)13(3,4)5/h8-10H,6-7,14H2,1-5H3,(H,15,17)/t9?,10-/m1/s1
InChIKeyXCVVENXZCXUSDO-QVDQXJPCSA-N
MW255.36 g/mol
LogP0.49
Rot. Bonds3

About (2S)-2-amino-3,3-dimethyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)butanamide

(2S)-2-amino-3,3-dimethyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)butanamide (PubChem CID 119785943) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)butanamide
PubChem CID119785943
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name(2S)-2-amino-3,3-dimethyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)butanamide
SMILESCC(C)N1CCC(NC(=O)[C@@H](N)C(C)(C)C)C1=O
InChIInChI=1S/C13H25N3O2/c1-8(2)16-7-6-9(12(16)18)15-11(17)10(14)13(3,4)5/h8-10H,6-7,14H2,1-5H3,(H,15,17)/t9?,10-/m1/s1
InChIKeyXCVVENXZCXUSDO-QVDQXJPCSA-N
XLogP0.49
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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

2-amino-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)pentanamide
CID 119324962
(2S)-2-amino-3,3-dimethyl-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]butanamide;hydrochloride
CID 119802744
2-amino-3,3-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide
CID 76887361
(2S)-2-amino-3,3-dimethyl-N-(2-oxo-1-phenylpiperidin-3-yl)butanamide;hydrochloride
CID 119787601
cis-(1S,3R)-2,2-dimethyl-3-[(2-oxo-1-propan-2-ylpyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 122065600
methyl 2-[3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate
CID 119818374
N-(1-acetylpiperidin-4-yl)-2-amino-3,3-dimethylbutanamide
CID 68920493
(2S)-2-amino-N-cyclopropyl-3,3-dimethylbutanamide;hydrochloride
CID 66951838
1-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-(2-phenylbutan-2-yl)urea
CID 167971370
(2S)-2-amino-3,3-dimethyl-N-(4-propan-2-ylcyclohexyl)butanamide
CID 119812015
2-amino-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3,3-dimethylbutanamide
CID 76887363
(3S)-3-[[(2R)-1-tert-butylsulfanylpropan-2-yl]amino]-1-propan-2-ylpyrrolidin-2-one
CID 97074552

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)butanamide?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)butanamide (CID 119785943) is (2S)-2-amino-3,3-dimethyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)butanamide.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)butanamide?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)butanamide is CC(C)N1CCC(NC(=O)[C@@H](N)C(C)(C)C)C1=O.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)butanamide?
The InChIKey is XCVVENXZCXUSDO-QVDQXJPCSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-8(2)16-7-6-9(12(16)18)15-11(17)10(14)13(3,4)5/h8-10H,6-7,14H2,1-5H3,(H,15,17)/t9?,10-/m1/s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)butanamide?
(2S)-2-amino-3,3-dimethyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)butanamide has a molecular weight of 255.36 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dimethyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)butanamide is sourced from PubChem (CID 119785943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).