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

C8H13NO2 — CID 129369631

IUPAC(3S,4R)-4-cyclopropylpyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CNC[C@@H]1C1CC1
InChIInChI=1S/C8H13NO2/c10-8(11)7-4-9-3-6(7)5-1-2-5/h5-7,9H,1-4H2,(H,10,11)/t6-,7-/m1/s1
InChIKeyFVSSNRDCBCSLGC-RNFRBKRXSA-N
MW155.20 g/mol
LogP0.32
Rot. Bonds2

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

(3S,4R)-4-cyclopropylpyrrolidine-3-carboxylic acid (PubChem CID 129369631) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (3S,4R)-4-cyclopropylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,4R)-4-cyclopropylpyrrolidine-3-carboxylic acid
PubChem CID129369631
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(3S,4R)-4-cyclopropylpyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CNC[C@@H]1C1CC1
InChIInChI=1S/C8H13NO2/c10-8(11)7-4-9-3-6(7)5-1-2-5/h5-7,9H,1-4H2,(H,10,11)/t6-,7-/m1/s1
InChIKeyFVSSNRDCBCSLGC-RNFRBKRXSA-N
XLogP0.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-tert-butylcyclohexyl)pyrrolidine-3-carboxylic acid
CID 104575954
3-cyclobutylpiperidine-4-carboxylic acid
CID 84769140
4-(3,3-dimethylcyclohexyl)pyrrolidine-3-carboxylic acid
CID 165463044
methyl (3R,4R)-4-cyclopropylpyrrolidine-3-carboxylate;hydrochloride
CID 155905262
ethyl (3S,4R)-4-cyclopropylpyrrolidine-3-carboxylate
CID 131632236
ethyl (3R,4S)-4-cyclopropylpyrrolidine-3-carboxylate
CID 131850205
4-cycloheptylpyrrolidine-3-carboxamide
CID 114487061
2-(azetidin-3-yl)cyclopropane-1-carboxylic acid
CID 55279783
2-(azetidin-3-yl)cyclohexane-1-carboxylic acid
CID 55253786
(4aR,5S,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine-5-carboxylic acid
CID 178194493
methyl 4-cyclohexylpyrrolidine-3-carboxylate
CID 114486447
(3S,4S)-4-methylpyrrolidine-3-carboxylic acid;hydrochloride
CID 122163647

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-cyclopropylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3S,4R)-4-cyclopropylpyrrolidine-3-carboxylic acid (CID 129369631) is (3S,4R)-4-cyclopropylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S,4R)-4-cyclopropylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S,4R)-4-cyclopropylpyrrolidine-3-carboxylic acid is O=C(O)[C@@H]1CNC[C@@H]1C1CC1.
What is the InChIKey of (3S,4R)-4-cyclopropylpyrrolidine-3-carboxylic acid?
The InChIKey is FVSSNRDCBCSLGC-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H13NO2/c10-8(11)7-4-9-3-6(7)5-1-2-5/h5-7,9H,1-4H2,(H,10,11)/t6-,7-/m1/s1.
What are the key properties of (3S,4R)-4-cyclopropylpyrrolidine-3-carboxylic acid?
(3S,4R)-4-cyclopropylpyrrolidine-3-carboxylic acid has a molecular weight of 155.20 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 (3S,4R)-4-cyclopropylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 129369631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).