(2S)-2-amino-3,3-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide

C13H25N3O2 — CID 119671584

IUPAC(2S)-2-amino-3,3-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide
SMILESCC(C)(C)[C@H](N)C(=O)NCCCN1CCCC1=O
InChIInChI=1S/C13H25N3O2/c1-13(2,3)11(14)12(18)15-7-5-9-16-8-4-6-10(16)17/h11H,4-9,14H2,1-3H3,(H,15,18)/t11-/m1/s1
InChIKeyMSOOLLZOGXPSCZ-LLVKDONJSA-N
MW255.36 g/mol
LogP0.49
Rot. Bonds5

About (2S)-2-amino-3,3-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide

(2S)-2-amino-3,3-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide (PubChem CID 119671584) 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-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide
PubChem CID119671584
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name(2S)-2-amino-3,3-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide
SMILESCC(C)(C)[C@H](N)C(=O)NCCCN1CCCC1=O
InChIInChI=1S/C13H25N3O2/c1-13(2,3)11(14)12(18)15-7-5-9-16-8-4-6-10(16)17/h11H,4-9,14H2,1-3H3,(H,15,18)/t11-/m1/s1
InChIKeyMSOOLLZOGXPSCZ-LLVKDONJSA-N
XLogP0.49
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S)-2-amino-3,3-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide with MolForge

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Related Compounds

(2S)-2-amino-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pentanamide;hydrochloride
CID 119671605
(2R)-2-amino-3,3-dimethyl-N-(3-piperidin-1-ylpropyl)butanamide
CID 103928449
(2S)-2-amino-4-methyl-N-[3-(2-oxoazepan-1-yl)propyl]pentanamide
CID 119687909
N'-tert-butyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide
CID 45000134
N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide
CID 123515256
4-tert-butyl-N-[3-methyl-1-oxo-1-[3-(2-oxopyrrolidin-1-yl)propylamino]butan-2-yl]benzamide
CID 112763209
2-(2-oxopiperidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86984731
N'-(2-methoxyethyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide
CID 45497345
N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopentanecarboxamide
CID 17217958
1-methoxy-3-[3-(2-oxoazepan-1-yl)propyl]urea
CID 78879528
7-amino-N-[3-(2-oxopyrrolidin-1-yl)propyl]heptanamide
CID 119671569
2-(diethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86977577

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide (CID 119671584) is (2S)-2-amino-3,3-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide is CC(C)(C)[C@H](N)C(=O)NCCCN1CCCC1=O.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide?
The InChIKey is MSOOLLZOGXPSCZ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-13(2,3)11(14)12(18)15-7-5-9-16-8-4-6-10(16)17/h11H,4-9,14H2,1-3H3,(H,15,18)/t11-/m1/s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide?
(2S)-2-amino-3,3-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide has a molecular weight of 255.36 g/mol, XLogP of 0.49, 5 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-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide is sourced from PubChem (CID 119671584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).