(3R)-1-tert-butyl-5-oxopyrrolidine-3-carboxylic acid

C9H15NO3 — CID 735283

IUPAC(3R)-1-tert-butyl-5-oxopyrrolidine-3-carboxylic acid
SMILESCC(C)(C)N1C[C@H](C(=O)O)CC1=O
InChIInChI=1S/C9H15NO3/c1-9(2,3)10-5-6(8(12)13)4-7(10)11/h6H,4-5H2,1-3H3,(H,12,13)/t6-/m1/s1
InChIKeyVDUOOJKMVVKJKA-ZCFIWIBFSA-N
MW185.22 g/mol
LogP0.72
Rot. Bonds1

About (3R)-1-tert-butyl-5-oxopyrrolidine-3-carboxylic acid

(3R)-1-tert-butyl-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 735283) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is (3R)-1-tert-butyl-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-tert-butyl-5-oxopyrrolidine-3-carboxylic acid
PubChem CID735283
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name(3R)-1-tert-butyl-5-oxopyrrolidine-3-carboxylic acid
SMILESCC(C)(C)N1C[C@H](C(=O)O)CC1=O
InChIInChI=1S/C9H15NO3/c1-9(2,3)10-5-6(8(12)13)4-7(10)11/h6H,4-5H2,1-3H3,(H,12,13)/t6-/m1/s1
InChIKeyVDUOOJKMVVKJKA-ZCFIWIBFSA-N
XLogP0.72
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (3R)-1-tert-butyl-5-oxopyrrolidine-3-carboxylate
CID 92755216
1-(1-methoxy-2-methyl-1-oxopropan-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 82680909
(3R)-1-tert-butyl-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide
CID 9352536
1-tert-butyl-N-ethyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 17081121
(3S)-1-tert-butyl-N,N-bis(cyanomethyl)-5-oxopyrrolidine-3-carboxamide
CID 9352289
1-tert-butyl-4-(4-propanoylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 108535451
1-tert-butyl-N-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 18885871
(3S)-N-(4-bromophenyl)-1-tert-butyl-5-oxopyrrolidine-3-carboxamide
CID 9352311
1-tert-butyl-4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 108535462
3-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]-4-hydroxybenzoic acid
CID 108753950
(3S)-N-benzyl-1-tert-butyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 9352300
(4R)-1-tert-butyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 8549380

Frequently Asked Questions

What is the IUPAC name of (3R)-1-tert-butyl-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-tert-butyl-5-oxopyrrolidine-3-carboxylic acid (CID 735283) is (3R)-1-tert-butyl-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-tert-butyl-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-tert-butyl-5-oxopyrrolidine-3-carboxylic acid is CC(C)(C)N1C[C@H](C(=O)O)CC1=O.
What is the InChIKey of (3R)-1-tert-butyl-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is VDUOOJKMVVKJKA-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H15NO3/c1-9(2,3)10-5-6(8(12)13)4-7(10)11/h6H,4-5H2,1-3H3,(H,12,13)/t6-/m1/s1.
What are the key properties of (3R)-1-tert-butyl-5-oxopyrrolidine-3-carboxylic acid?
(3R)-1-tert-butyl-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 185.22 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-tert-butyl-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 735283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).