(3R,4S)-4-ethylpyrrolidine-3-carboxylic acid

C7H13NO2 — CID 58977392

IUPAC(3R,4S)-4-ethylpyrrolidine-3-carboxylic acid
SMILESCC[C@@H]1CNC[C@@H]1C(=O)O
InChIInChI=1S/C7H13NO2/c1-2-5-3-8-4-6(5)7(9)10/h5-6,8H,2-4H2,1H3,(H,9,10)/t5-,6+/m1/s1
InChIKeyNDDVWSDMFBDMGI-RITPCOANSA-N
MW143.19 g/mol
LogP0.32
Rot. Bonds2

About (3R,4S)-4-ethylpyrrolidine-3-carboxylic acid

(3R,4S)-4-ethylpyrrolidine-3-carboxylic acid (PubChem CID 58977392) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (3R,4S)-4-ethylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4S)-4-ethylpyrrolidine-3-carboxylic acid
PubChem CID58977392
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(3R,4S)-4-ethylpyrrolidine-3-carboxylic acid
SMILESCC[C@@H]1CNC[C@@H]1C(=O)O
InChIInChI=1S/C7H13NO2/c1-2-5-3-8-4-6(5)7(9)10/h5-6,8H,2-4H2,1H3,(H,9,10)/t5-,6+/m1/s1
InChIKeyNDDVWSDMFBDMGI-RITPCOANSA-N
XLogP0.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4S)-4-(2-methylpropyl)pyrrolidine-3-carboxylic acid
CID 15516932
ethyl (3R,4S)-4-ethylpyrrolidine-3-carboxylate
CID 91664549
(4-ethylpyrrolidin-3-yl)carbamic acid
CID 174763111
4-[(4-methylphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 84684805
(3S,4S)-4-methylpyrrolidine-3-carboxylic acid;hydrochloride
CID 122163647
4-acetylpyrrolidine-3-carboxylic acid
CID 5141364
4-(3-boronopropyl)pyrrolidine-3-carboxylic acid
CID 77453645
4-pentan-3-ylpyrrolidine-3-carboxylic acid
CID 63940760
benzyl formate;2-bromo-1-[(3R,4S)-4-ethylpyrrolidin-3-yl]ethanone
CID 175158622
(3R,4R)-4-(2-phenylethyl)pyrrolidine-3-carboxylic acid
CID 57367804
(3S,4R)-4-aminopyrrolidine-3-carboxylic acid;dihydrochloride
CID 11424235
2-(4-acetylpyrrolidin-3-yl)acetic acid
CID 45085789

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-ethylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3R,4S)-4-ethylpyrrolidine-3-carboxylic acid (CID 58977392) is (3R,4S)-4-ethylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R,4S)-4-ethylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R,4S)-4-ethylpyrrolidine-3-carboxylic acid is CC[C@@H]1CNC[C@@H]1C(=O)O.
What is the InChIKey of (3R,4S)-4-ethylpyrrolidine-3-carboxylic acid?
The InChIKey is NDDVWSDMFBDMGI-RITPCOANSA-N. The full InChI is InChI=1S/C7H13NO2/c1-2-5-3-8-4-6(5)7(9)10/h5-6,8H,2-4H2,1H3,(H,9,10)/t5-,6+/m1/s1.
What are the key properties of (3R,4S)-4-ethylpyrrolidine-3-carboxylic acid?
(3R,4S)-4-ethylpyrrolidine-3-carboxylic acid has a molecular weight of 143.19 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-ethylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 58977392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).