(3R,4S)-4-propan-2-ylpyrrolidine-3-carboxylic acid

C8H15NO2 — CID 7146007

IUPAC(3R,4S)-4-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCC(C)[C@@H]1CNC[C@@H]1C(=O)O
InChIInChI=1S/C8H15NO2/c1-5(2)6-3-9-4-7(6)8(10)11/h5-7,9H,3-4H2,1-2H3,(H,10,11)/t6-,7-/m0/s1
InChIKeyNQULSPPHDFWDLL-BQBZGAKWSA-N
MW157.21 g/mol
LogP0.56
Rot. Bonds2

About (3R,4S)-4-propan-2-ylpyrrolidine-3-carboxylic acid

(3R,4S)-4-propan-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 7146007) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (3R,4S)-4-propan-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4S)-4-propan-2-ylpyrrolidine-3-carboxylic acid
PubChem CID7146007
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(3R,4S)-4-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCC(C)[C@@H]1CNC[C@@H]1C(=O)O
InChIInChI=1S/C8H15NO2/c1-5(2)6-3-9-4-7(6)8(10)11/h5-7,9H,3-4H2,1-2H3,(H,10,11)/t6-,7-/m0/s1
InChIKeyNQULSPPHDFWDLL-BQBZGAKWSA-N
XLogP0.56
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 ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-propan-2-ylpyrrolidine-3-carboxylic acid;hydrochloride
CID 53398420
(3R,4R)-3-propan-2-ylpiperidine-4-carboxylic acid
CID 96740148
3-propan-2-ylpiperidine-4-carboxylic acid
CID 82598426
4-pentan-3-ylpyrrolidine-3-carboxylic acid
CID 63940760
methyl (3R,4R)-4-propan-2-ylpyrrolidine-3-carboxylate;hydrochloride
CID 72699098
trans-(1R,2S)-2-propan-2-ylcyclopropane-1-carboxylic acid
CID 59617928
(3S,4S)-4-methylpyrrolidine-3-carboxylic acid;hydrochloride
CID 122163647
4-acetylpyrrolidine-3-carboxylic acid
CID 5141364
2-[(3R,4R)-4-propan-2-ylpyrrolidin-3-yl]acetic acid
CID 10920964
(3R,4S)-4-(2-methylpropyl)pyrrolidine-3-carboxylic acid
CID 15516932
(3R,4S)-4-ethylpyrrolidine-3-carboxylic acid
CID 58977392
4-methylsulfonylpyrrolidine-3-carboxylic acid
CID 105446919

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-propan-2-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3R,4S)-4-propan-2-ylpyrrolidine-3-carboxylic acid (CID 7146007) is (3R,4S)-4-propan-2-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R,4S)-4-propan-2-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R,4S)-4-propan-2-ylpyrrolidine-3-carboxylic acid is CC(C)[C@@H]1CNC[C@@H]1C(=O)O.
What is the InChIKey of (3R,4S)-4-propan-2-ylpyrrolidine-3-carboxylic acid?
The InChIKey is NQULSPPHDFWDLL-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H15NO2/c1-5(2)6-3-9-4-7(6)8(10)11/h5-7,9H,3-4H2,1-2H3,(H,10,11)/t6-,7-/m0/s1.
What are the key properties of (3R,4S)-4-propan-2-ylpyrrolidine-3-carboxylic acid?
(3R,4S)-4-propan-2-ylpyrrolidine-3-carboxylic acid has a molecular weight of 157.21 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-propan-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 7146007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).