2-[(3R)-3-(cyclopropanecarbonyl)pyrrolidin-3-yl]butanoic acid

C12H19NO3 — CID 67355372

IUPAC2-[(3R)-3-(cyclopropanecarbonyl)pyrrolidin-3-yl]butanoic acid
SMILESCCC(C(=O)O)[C@]1(C(=O)C2CC2)CCNC1
InChIInChI=1S/C12H19NO3/c1-2-9(11(15)16)12(5-6-13-7-12)10(14)8-3-4-8/h8-9,13H,2-7H2,1H3,(H,15,16)/t9?,12-/m0/s1
InChIKeyGMGBJMRWIPCLTG-ACGXKRRESA-N
MW225.29 g/mol
LogP1.06
Rot. Bonds5

About 2-[(3R)-3-(cyclopropanecarbonyl)pyrrolidin-3-yl]butanoic acid

2-[(3R)-3-(cyclopropanecarbonyl)pyrrolidin-3-yl]butanoic acid (PubChem CID 67355372) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[(3R)-3-(cyclopropanecarbonyl)pyrrolidin-3-yl]butanoic acid.

Molecular Properties

Compound Name2-[(3R)-3-(cyclopropanecarbonyl)pyrrolidin-3-yl]butanoic acid
PubChem CID67355372
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-[(3R)-3-(cyclopropanecarbonyl)pyrrolidin-3-yl]butanoic acid
SMILESCCC(C(=O)O)[C@]1(C(=O)C2CC2)CCNC1
InChIInChI=1S/C12H19NO3/c1-2-9(11(15)16)12(5-6-13-7-12)10(14)8-3-4-8/h8-9,13H,2-7H2,1H3,(H,15,16)/t9?,12-/m0/s1
InChIKeyGMGBJMRWIPCLTG-ACGXKRRESA-N
XLogP1.06
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(cyclopropanecarbonyl)pyrrolidin-3-yl]butanoic acid?
The IUPAC name of 2-[(3R)-3-(cyclopropanecarbonyl)pyrrolidin-3-yl]butanoic acid (CID 67355372) is 2-[(3R)-3-(cyclopropanecarbonyl)pyrrolidin-3-yl]butanoic acid.
What is the SMILES notation for 2-[(3R)-3-(cyclopropanecarbonyl)pyrrolidin-3-yl]butanoic acid?
The canonical SMILES for 2-[(3R)-3-(cyclopropanecarbonyl)pyrrolidin-3-yl]butanoic acid is CCC(C(=O)O)[C@]1(C(=O)C2CC2)CCNC1.
What is the InChIKey of 2-[(3R)-3-(cyclopropanecarbonyl)pyrrolidin-3-yl]butanoic acid?
The InChIKey is GMGBJMRWIPCLTG-ACGXKRRESA-N. The full InChI is InChI=1S/C12H19NO3/c1-2-9(11(15)16)12(5-6-13-7-12)10(14)8-3-4-8/h8-9,13H,2-7H2,1H3,(H,15,16)/t9?,12-/m0/s1.
What are the key properties of 2-[(3R)-3-(cyclopropanecarbonyl)pyrrolidin-3-yl]butanoic acid?
2-[(3R)-3-(cyclopropanecarbonyl)pyrrolidin-3-yl]butanoic acid has a molecular weight of 225.29 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(cyclopropanecarbonyl)pyrrolidin-3-yl]butanoic acid is sourced from PubChem (CID 67355372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).