(3R)-1-(3,3-dimethyl-2-oxobutyl)pyrrolidine-3-carboxylic acid

C11H19NO3 — CID 129493333

IUPAC(3R)-1-(3,3-dimethyl-2-oxobutyl)pyrrolidine-3-carboxylic acid
SMILESCC(C)(C)C(=O)CN1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C11H19NO3/c1-11(2,3)9(13)7-12-5-4-8(6-12)10(14)15/h8H,4-7H2,1-3H3,(H,14,15)/t8-/m1/s1
InChIKeyIIEKGLMNVIEVPY-MRVPVSSYSA-N
MW213.28 g/mol
LogP1.01
Rot. Bonds3

About (3R)-1-(3,3-dimethyl-2-oxobutyl)pyrrolidine-3-carboxylic acid

(3R)-1-(3,3-dimethyl-2-oxobutyl)pyrrolidine-3-carboxylic acid (PubChem CID 129493333) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is (3R)-1-(3,3-dimethyl-2-oxobutyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(3,3-dimethyl-2-oxobutyl)pyrrolidine-3-carboxylic acid
PubChem CID129493333
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name(3R)-1-(3,3-dimethyl-2-oxobutyl)pyrrolidine-3-carboxylic acid
SMILESCC(C)(C)C(=O)CN1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C11H19NO3/c1-11(2,3)9(13)7-12-5-4-8(6-12)10(14)15/h8H,4-7H2,1-3H3,(H,14,15)/t8-/m1/s1
InChIKeyIIEKGLMNVIEVPY-MRVPVSSYSA-N
XLogP1.01
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-oxopropyl)pyrrolidine-3-carboxylic acid
CID 121200178
1-[2-(dimethylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63030679
1-[2-(ethylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 22322835
1-[2-(cyclopropylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63030850
1-[(E)-5-methylhex-2-enyl]pyrrolidine-3-carboxylic acid
CID 22322909
1-[2-oxo-2-(propylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 22322508
1-(3-methoxy-4-methylpiperidin-1-yl)-3,3-dimethylbutan-2-one
CID 102960525
3,3-dimethyl-1-(4-propylpiperidin-1-yl)butan-2-one
CID 62205767
(3S)-1-(2-chloroethyl)pyrrolidine-3-carboxylic acid
CID 121473496
3,3-dimethyl-1-(4-methylazepan-1-yl)butan-2-one
CID 63622621
1-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxylic acid
CID 64566121
1-[(3R)-3-(aminomethyl)piperidin-1-yl]-3,3-dimethylbutan-2-one
CID 129494683

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3,3-dimethyl-2-oxobutyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(3,3-dimethyl-2-oxobutyl)pyrrolidine-3-carboxylic acid (CID 129493333) is (3R)-1-(3,3-dimethyl-2-oxobutyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(3,3-dimethyl-2-oxobutyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(3,3-dimethyl-2-oxobutyl)pyrrolidine-3-carboxylic acid is CC(C)(C)C(=O)CN1CC[C@@H](C(=O)O)C1.
What is the InChIKey of (3R)-1-(3,3-dimethyl-2-oxobutyl)pyrrolidine-3-carboxylic acid?
The InChIKey is IIEKGLMNVIEVPY-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-11(2,3)9(13)7-12-5-4-8(6-12)10(14)15/h8H,4-7H2,1-3H3,(H,14,15)/t8-/m1/s1.
What are the key properties of (3R)-1-(3,3-dimethyl-2-oxobutyl)pyrrolidine-3-carboxylic acid?
(3R)-1-(3,3-dimethyl-2-oxobutyl)pyrrolidine-3-carboxylic acid has a molecular weight of 213.28 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3,3-dimethyl-2-oxobutyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 129493333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).