(3R,4S)-4-(2-methylpropyl)pyrrolidine-3-carboxylic acid

C9H17NO2 — CID 15516932

IUPAC(3R,4S)-4-(2-methylpropyl)pyrrolidine-3-carboxylic acid
SMILESCC(C)C[C@@H]1CNC[C@@H]1C(=O)O
InChIInChI=1S/C9H17NO2/c1-6(2)3-7-4-10-5-8(7)9(11)12/h6-8,10H,3-5H2,1-2H3,(H,11,12)/t7-,8+/m1/s1
InChIKeyWPLPJEWZNOILAV-SFYZADRCSA-N
MW171.24 g/mol
LogP0.95
Rot. Bonds3

About (3R,4S)-4-(2-methylpropyl)pyrrolidine-3-carboxylic acid

(3R,4S)-4-(2-methylpropyl)pyrrolidine-3-carboxylic acid (PubChem CID 15516932) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (3R,4S)-4-(2-methylpropyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4S)-4-(2-methylpropyl)pyrrolidine-3-carboxylic acid
PubChem CID15516932
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(3R,4S)-4-(2-methylpropyl)pyrrolidine-3-carboxylic acid
SMILESCC(C)C[C@@H]1CNC[C@@H]1C(=O)O
InChIInChI=1S/C9H17NO2/c1-6(2)3-7-4-10-5-8(7)9(11)12/h6-8,10H,3-5H2,1-2H3,(H,11,12)/t7-,8+/m1/s1
InChIKeyWPLPJEWZNOILAV-SFYZADRCSA-N
XLogP0.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(2-methylpropyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R,4S)-4-(2-methylpropyl)pyrrolidine-3-carboxylic acid (CID 15516932) is (3R,4S)-4-(2-methylpropyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R,4S)-4-(2-methylpropyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R,4S)-4-(2-methylpropyl)pyrrolidine-3-carboxylic acid is CC(C)C[C@@H]1CNC[C@@H]1C(=O)O.
What is the InChIKey of (3R,4S)-4-(2-methylpropyl)pyrrolidine-3-carboxylic acid?
The InChIKey is WPLPJEWZNOILAV-SFYZADRCSA-N. The full InChI is InChI=1S/C9H17NO2/c1-6(2)3-7-4-10-5-8(7)9(11)12/h6-8,10H,3-5H2,1-2H3,(H,11,12)/t7-,8+/m1/s1.
What are the key properties of (3R,4S)-4-(2-methylpropyl)pyrrolidine-3-carboxylic acid?
(3R,4S)-4-(2-methylpropyl)pyrrolidine-3-carboxylic acid has a molecular weight of 171.24 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(2-methylpropyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 15516932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).