2,2-dimethyl-3-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)propanoic acid

C12H21NO3 — CID 104511188

IUPAC2,2-dimethyl-3-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)propanoic acid
SMILESCC(C)C1CC(=O)N(CC(C)(C)C(=O)O)C1
InChIInChI=1S/C12H21NO3/c1-8(2)9-5-10(14)13(6-9)7-12(3,4)11(15)16/h8-9H,5-7H2,1-4H3,(H,15,16)
InChIKeyDTCYDQNJUZTEPP-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.60
Rot. Bonds4

About 2,2-dimethyl-3-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)propanoic acid

2,2-dimethyl-3-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)propanoic acid (PubChem CID 104511188) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)propanoic acid
PubChem CID104511188
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2,2-dimethyl-3-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)propanoic acid
SMILESCC(C)C1CC(=O)N(CC(C)(C)C(=O)O)C1
InChIInChI=1S/C12H21NO3/c1-8(2)9-5-10(14)13(6-9)7-12(3,4)11(15)16/h8-9H,5-7H2,1-4H3,(H,15,16)
InChIKeyDTCYDQNJUZTEPP-UHFFFAOYSA-N
XLogP1.60
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4S)-2-oxo-4-propan-2-ylpyrrolidin-1-yl]acetic acid
CID 97000523
1-(3-bromo-2,2-dimethylpropyl)-4-propan-2-ylpyrrolidin-2-one
CID 104511296
2,2-dimethyl-3-(2-oxo-4-propylpyrrolidin-1-yl)propanoic acid
CID 104511137
1-ethyl-4-propan-2-ylpyrrolidin-2-one
CID 122470396
1-(3-hydroxypropyl)-4-propan-2-ylpyrrolidin-2-one
CID 115773389
2-acetamido-3-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)propanoic acid
CID 104511158
3-(3,3-difluoro-5-oxo-1,2,3a,4,7,7a-hexahydropyrrolo[2,3-c]pyridin-6-yl)-2,2-dimethylpropanoic acid;hydrochloride
CID 175208945
1-[3,3-dimethyl-2-(propylamino)butyl]-4-propan-2-ylpyrrolidin-2-one
CID 104511443
1-(3-chloro-2-hydroxypropyl)-4-propan-2-ylpyrrolidin-2-one
CID 104511295
4-[2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)ethoxy]benzoic acid
CID 104511173
1-(oxiran-2-ylmethyl)-4-propan-2-ylpyrrolidin-2-one
CID 104511611
1-(2-amino-3-methoxy-3-methylbutyl)-4-propan-2-ylpyrrolidin-2-one
CID 114228631

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)propanoic acid?
The IUPAC name of 2,2-dimethyl-3-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)propanoic acid (CID 104511188) is 2,2-dimethyl-3-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)propanoic acid is CC(C)C1CC(=O)N(CC(C)(C)C(=O)O)C1.
What is the InChIKey of 2,2-dimethyl-3-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)propanoic acid?
The InChIKey is DTCYDQNJUZTEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-8(2)9-5-10(14)13(6-9)7-12(3,4)11(15)16/h8-9H,5-7H2,1-4H3,(H,15,16).
What are the key properties of 2,2-dimethyl-3-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)propanoic acid?
2,2-dimethyl-3-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)propanoic acid has a molecular weight of 227.30 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)propanoic acid is sourced from PubChem (CID 104511188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).