1-(3-methylcyclobutyl)pyrrolidine-2-carboxylic acid

C10H17NO2 — CID 103565045

IUPAC1-(3-methylcyclobutyl)pyrrolidine-2-carboxylic acid
SMILESCC1CC(N2CCCC2C(=O)O)C1
InChIInChI=1S/C10H17NO2/c1-7-5-8(6-7)11-4-2-3-9(11)10(12)13/h7-9H,2-6H2,1H3,(H,12,13)
InChIKeySGCNFCULSDPJFS-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.33
Rot. Bonds2

About 1-(3-methylcyclobutyl)pyrrolidine-2-carboxylic acid

1-(3-methylcyclobutyl)pyrrolidine-2-carboxylic acid (PubChem CID 103565045) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-(3-methylcyclobutyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-methylcyclobutyl)pyrrolidine-2-carboxylic acid
PubChem CID103565045
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-(3-methylcyclobutyl)pyrrolidine-2-carboxylic acid
SMILESCC1CC(N2CCCC2C(=O)O)C1
InChIInChI=1S/C10H17NO2/c1-7-5-8(6-7)11-4-2-3-9(11)10(12)13/h7-9H,2-6H2,1H3,(H,12,13)
InChIKeySGCNFCULSDPJFS-UHFFFAOYSA-N
XLogP1.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dimethylcyclohexyl)piperidine-2-carboxylic acid
CID 64731455
(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid
CID 51892046
(2S)-1-cyclohexylpyrrolidine-2-carboxylic acid;hydrochloride
CID 141195485
(2S)-1-(4,4-dimethylcyclohexyl)pyrrolidine-2-carboxylic acid
CID 110838436
2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid
CID 19990612
1-(1-methylazepan-4-yl)pyrrolidine-2-carboxylic acid
CID 65073070
1-(4-propan-2-ylcyclohexyl)pyrrolidine-2-carboxylic acid
CID 65056479
(2S)-1-(1-methylpyrrolidin-3-yl)pyrrolidine-2-carboxylic acid
CID 83618259
2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid;hydrochloride
CID 67945691
(2R)-1-(oxan-4-yl)pyrrolidine-2-carboxylic acid
CID 51980114
1-(oxan-4-yl)pyrrolidine-2-carboxylic acid
CID 51063851
1-(1-tert-butylazetidin-3-yl)pyrrolidine-2-carboxylic acid
CID 142538602

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclobutyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(3-methylcyclobutyl)pyrrolidine-2-carboxylic acid (CID 103565045) is 1-(3-methylcyclobutyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-methylcyclobutyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(3-methylcyclobutyl)pyrrolidine-2-carboxylic acid is CC1CC(N2CCCC2C(=O)O)C1.
What is the InChIKey of 1-(3-methylcyclobutyl)pyrrolidine-2-carboxylic acid?
The InChIKey is SGCNFCULSDPJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-7-5-8(6-7)11-4-2-3-9(11)10(12)13/h7-9H,2-6H2,1H3,(H,12,13).
What are the key properties of 1-(3-methylcyclobutyl)pyrrolidine-2-carboxylic acid?
1-(3-methylcyclobutyl)pyrrolidine-2-carboxylic acid has a molecular weight of 183.25 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclobutyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 103565045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).