2-methyl-1-propan-2-ylpyrrolidine-3-carboxylic acid

C9H17NO2 — CID 79372586

IUPAC2-methyl-1-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCC(C)N1CCC(C(=O)O)C1C
InChIInChI=1S/C9H17NO2/c1-6(2)10-5-4-8(7(10)3)9(11)12/h6-8H,4-5H2,1-3H3,(H,11,12)
InChIKeyCQVQERKEWCRBTE-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.19
Rot. Bonds2

About 2-methyl-1-propan-2-ylpyrrolidine-3-carboxylic acid

2-methyl-1-propan-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 79372586) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-methyl-1-propan-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-propan-2-ylpyrrolidine-3-carboxylic acid
PubChem CID79372586
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-methyl-1-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCC(C)N1CCC(C(=O)O)C1C
InChIInChI=1S/C9H17NO2/c1-6(2)10-5-4-8(7(10)3)9(11)12/h6-8H,4-5H2,1-3H3,(H,11,12)
InChIKeyCQVQERKEWCRBTE-UHFFFAOYSA-N
XLogP1.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-cyclopentylethyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79383655
2-methyl-1-(4-methylpentan-2-yl)pyrrolidine-3-carboxylic acid
CID 79383736
1-[1-(dimethylamino)-1-oxopropan-2-yl]-2-methylpyrrolidine-3-carboxylic acid
CID 79369265
(2R,3S)-2-ethyl-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 82406095
(2R,3S)-2-cyclopentyl-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 96603802
2-methyl-1-(1-phenylpropan-2-yl)pyrrolidine-3-carboxylic acid
CID 79383005
1-[1-(4-fluorophenyl)ethyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79383647
(2R,3S)-2-methylpyrrolidine-1,3-dicarboxylic acid
CID 137367540
(2S,3R)-2-methyl-1-propan-2-ylpyrrolidin-3-ol
CID 131048189
2-methyl-1-(2-methylpropyl)pyrrolidine-3-carboxylic acid
CID 79370819
1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79382529
2-methyl-1-(1-pyridin-2-ylethyl)pyrrolidine-3-carboxylic acid
CID 79383099

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-propan-2-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of 2-methyl-1-propan-2-ylpyrrolidine-3-carboxylic acid (CID 79372586) is 2-methyl-1-propan-2-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-1-propan-2-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-methyl-1-propan-2-ylpyrrolidine-3-carboxylic acid is CC(C)N1CCC(C(=O)O)C1C.
What is the InChIKey of 2-methyl-1-propan-2-ylpyrrolidine-3-carboxylic acid?
The InChIKey is CQVQERKEWCRBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-6(2)10-5-4-8(7(10)3)9(11)12/h6-8H,4-5H2,1-3H3,(H,11,12).
What are the key properties of 2-methyl-1-propan-2-ylpyrrolidine-3-carboxylic acid?
2-methyl-1-propan-2-ylpyrrolidine-3-carboxylic acid has a molecular weight of 171.24 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-propan-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79372586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).