(2S)-4-propan-2-ylpyrrolidine-2-carboxylic acid

C8H15NO2 — CID 54517485

IUPAC(2S)-4-propan-2-ylpyrrolidine-2-carboxylic acid
SMILESCC(C)C1CN[C@H](C(=O)O)C1
InChIInChI=1S/C8H15NO2/c1-5(2)6-3-7(8(10)11)9-4-6/h5-7,9H,3-4H2,1-2H3,(H,10,11)/t6?,7-/m0/s1
InChIKeyYNKFSCQXCOMPNZ-MLWJPKLSSA-N
MW157.21 g/mol
LogP0.71
Rot. Bonds2

About (2S)-4-propan-2-ylpyrrolidine-2-carboxylic acid

(2S)-4-propan-2-ylpyrrolidine-2-carboxylic acid (PubChem CID 54517485) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (2S)-4-propan-2-ylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-propan-2-ylpyrrolidine-2-carboxylic acid
PubChem CID54517485
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(2S)-4-propan-2-ylpyrrolidine-2-carboxylic acid
SMILESCC(C)C1CN[C@H](C(=O)O)C1
InChIInChI=1S/C8H15NO2/c1-5(2)6-3-7(8(10)11)9-4-6/h5-7,9H,3-4H2,1-2H3,(H,10,11)/t6?,7-/m0/s1
InChIKeyYNKFSCQXCOMPNZ-MLWJPKLSSA-N
XLogP0.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-5-propan-2-ylpiperidine-3-carboxylic acid
CID 83915224
(2S)-4-[1-(furan-2-yl)ethyl]pyrrolidine-2-carboxylic acid
CID 70545181
4-methylpyrrolidine-2-carboxylic acid;hydrochloride
CID 71952985
4-methoxypyrrolidine-2-carboxylic acid;hydrochloride
CID 77213691
(4S)-4-(hydroxymethyl)pyrrolidine-2-carboxylic acid
CID 5318293
(2S,4S,5R)-piperidine-2,4,5-tricarboxylic acid
CID 10822635
(2S)-4-aminopyrrolidine-2-carboxylic acid
CID 21120376
(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;hydrochloride
CID 11205991
4-methylsulfanylpyrrolidine-2-carboxylic acid
CID 13419864
(2S)-4-tert-butylpyrrolidine-2-carboxylic acid
CID 68652206
4-(2-hydroxypropan-2-yl)pyrrolidine-2-carboxylic acid
CID 71435178
(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;hydroxysilane
CID 131716757

Frequently Asked Questions

What is the IUPAC name of (2S)-4-propan-2-ylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-4-propan-2-ylpyrrolidine-2-carboxylic acid (CID 54517485) is (2S)-4-propan-2-ylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-propan-2-ylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-4-propan-2-ylpyrrolidine-2-carboxylic acid is CC(C)C1CN[C@H](C(=O)O)C1.
What is the InChIKey of (2S)-4-propan-2-ylpyrrolidine-2-carboxylic acid?
The InChIKey is YNKFSCQXCOMPNZ-MLWJPKLSSA-N. The full InChI is InChI=1S/C8H15NO2/c1-5(2)6-3-7(8(10)11)9-4-6/h5-7,9H,3-4H2,1-2H3,(H,10,11)/t6?,7-/m0/s1.
What are the key properties of (2S)-4-propan-2-ylpyrrolidine-2-carboxylic acid?
(2S)-4-propan-2-ylpyrrolidine-2-carboxylic acid has a molecular weight of 157.21 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-propan-2-ylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 54517485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).