(2S)-1-(cyclopenten-1-yl)pyrrolidine-2-carboxylic acid

C10H15NO2 — CID 134850380

IUPAC(2S)-1-(cyclopenten-1-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C1=CCCC1
InChIInChI=1S/C10H15NO2/c12-10(13)9-6-3-7-11(9)8-4-1-2-5-8/h4,9H,1-3,5-7H2,(H,12,13)/t9-/m0/s1
InChIKeyMCTSJYZQSUXUIP-VIFPVBQESA-N
MW181.23 g/mol
LogP1.60
Rot. Bonds2

About (2S)-1-(cyclopenten-1-yl)pyrrolidine-2-carboxylic acid

(2S)-1-(cyclopenten-1-yl)pyrrolidine-2-carboxylic acid (PubChem CID 134850380) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is (2S)-1-(cyclopenten-1-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(cyclopenten-1-yl)pyrrolidine-2-carboxylic acid
PubChem CID134850380
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name(2S)-1-(cyclopenten-1-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C1=CCCC1
InChIInChI=1S/C10H15NO2/c12-10(13)9-6-3-7-11(9)8-4-1-2-5-8/h4,9H,1-3,5-7H2,(H,12,13)/t9-/m0/s1
InChIKeyMCTSJYZQSUXUIP-VIFPVBQESA-N
XLogP1.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(cyclopenten-1-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(cyclopenten-1-yl)pyrrolidine-2-carboxylic acid (CID 134850380) is (2S)-1-(cyclopenten-1-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(cyclopenten-1-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(cyclopenten-1-yl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1C1=CCCC1.
What is the InChIKey of (2S)-1-(cyclopenten-1-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is MCTSJYZQSUXUIP-VIFPVBQESA-N. The full InChI is InChI=1S/C10H15NO2/c12-10(13)9-6-3-7-11(9)8-4-1-2-5-8/h4,9H,1-3,5-7H2,(H,12,13)/t9-/m0/s1.
What are the key properties of (2S)-1-(cyclopenten-1-yl)pyrrolidine-2-carboxylic acid?
(2S)-1-(cyclopenten-1-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 181.23 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(cyclopenten-1-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 134850380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).