(3R)-1-[(1S)-2,2-dimethylcyclopropanecarbonyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid

C14H23NO3 — CID 129465596

IUPAC(3R)-1-[(1S)-2,2-dimethylcyclopropanecarbonyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCC(C)[C@]1(C(=O)O)CCN(C(=O)[C@H]2CC2(C)C)C1
InChIInChI=1S/C14H23NO3/c1-9(2)14(12(17)18)5-6-15(8-14)11(16)10-7-13(10,3)4/h9-10H,5-8H2,1-4H3,(H,17,18)/t10-,14+/m1/s1
InChIKeyPKSVTJVHWDKJTQ-YGRLFVJLSA-N
MW253.34 g/mol
LogP1.99
Rot. Bonds3

About (3R)-1-[(1S)-2,2-dimethylcyclopropanecarbonyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid

(3R)-1-[(1S)-2,2-dimethylcyclopropanecarbonyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 129465596) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is (3R)-1-[(1S)-2,2-dimethylcyclopropanecarbonyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[(1S)-2,2-dimethylcyclopropanecarbonyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
PubChem CID129465596
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name(3R)-1-[(1S)-2,2-dimethylcyclopropanecarbonyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCC(C)[C@]1(C(=O)O)CCN(C(=O)[C@H]2CC2(C)C)C1
InChIInChI=1S/C14H23NO3/c1-9(2)14(12(17)18)5-6-15(8-14)11(16)10-7-13(10,3)4/h9-10H,5-8H2,1-4H3,(H,17,18)/t10-,14+/m1/s1
InChIKeyPKSVTJVHWDKJTQ-YGRLFVJLSA-N
XLogP1.99
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R)-1-[(1S)-2,2-dimethylcyclopropanecarbonyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid with MolForge

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Related Compounds

3-propan-2-yl-1-(thiolane-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 106982802
1-(1-methyl-5-oxopyrrolidine-3-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106982721
1-(2-amino-3-methylbutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106981591
1-[2-(aminomethyl)cyclohexanecarbonyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106981578
1-(2-amino-1-methylcyclopentanecarbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106981585
1-[cyclopentyl(ethyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983703
1-(cyclopent-3-en-1-ylcarbamoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984032
1-cyclopropyl-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984747
1-[3-(dimethylamino)pyrrolidine-1-carbonyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983873
1-[(4-hydroxycyclohexyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983643
1-[cyclopropyl(2-hydroxyethyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983804
1-[(1-methylpiperidin-4-yl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983691

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(1S)-2,2-dimethylcyclopropanecarbonyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[(1S)-2,2-dimethylcyclopropanecarbonyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid (CID 129465596) is (3R)-1-[(1S)-2,2-dimethylcyclopropanecarbonyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[(1S)-2,2-dimethylcyclopropanecarbonyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[(1S)-2,2-dimethylcyclopropanecarbonyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid is CC(C)[C@]1(C(=O)O)CCN(C(=O)[C@H]2CC2(C)C)C1.
What is the InChIKey of (3R)-1-[(1S)-2,2-dimethylcyclopropanecarbonyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The InChIKey is PKSVTJVHWDKJTQ-YGRLFVJLSA-N. The full InChI is InChI=1S/C14H23NO3/c1-9(2)14(12(17)18)5-6-15(8-14)11(16)10-7-13(10,3)4/h9-10H,5-8H2,1-4H3,(H,17,18)/t10-,14+/m1/s1.
What are the key properties of (3R)-1-[(1S)-2,2-dimethylcyclopropanecarbonyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid?
(3R)-1-[(1S)-2,2-dimethylcyclopropanecarbonyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid has a molecular weight of 253.34 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(1S)-2,2-dimethylcyclopropanecarbonyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 129465596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).