1-[3-(cyclohexylmethylamino)-3-oxopropyl]pyrrolidine-2-carboxylic acid

C15H26N2O3 — CID 119909089

IUPAC1-[3-(cyclohexylmethylamino)-3-oxopropyl]pyrrolidine-2-carboxylic acid
SMILESO=C(CCN1CCCC1C(=O)O)NCC1CCCCC1
InChIInChI=1S/C15H26N2O3/c18-14(16-11-12-5-2-1-3-6-12)8-10-17-9-4-7-13(17)15(19)20/h12-13H,1-11H2,(H,16,18)(H,19,20)
InChIKeyWEDOBDMLJJHHLR-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.62
Rot. Bonds6

About 1-[3-(cyclohexylmethylamino)-3-oxopropyl]pyrrolidine-2-carboxylic acid

1-[3-(cyclohexylmethylamino)-3-oxopropyl]pyrrolidine-2-carboxylic acid (PubChem CID 119909089) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[3-(cyclohexylmethylamino)-3-oxopropyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-(cyclohexylmethylamino)-3-oxopropyl]pyrrolidine-2-carboxylic acid
PubChem CID119909089
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-[3-(cyclohexylmethylamino)-3-oxopropyl]pyrrolidine-2-carboxylic acid
SMILESO=C(CCN1CCCC1C(=O)O)NCC1CCCCC1
InChIInChI=1S/C15H26N2O3/c18-14(16-11-12-5-2-1-3-6-12)8-10-17-9-4-7-13(17)15(19)20/h12-13H,1-11H2,(H,16,18)(H,19,20)
InChIKeyWEDOBDMLJJHHLR-UHFFFAOYSA-N
XLogP1.62
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[5-[(2S)-2-carboxypyrrolidin-1-yl]pentyl]pyrrolidine-2-carboxylic acid
CID 138991676
methyl 1-[3-(ethylamino)-3-oxopropyl]piperidine-2-carboxylate
CID 115280659
N-(cyclohexylmethyl)-1-(2-methylsulfonylethyl)pyrrolidine-2-carboxamide
CID 84590044
(2S)-1-(2-sulfanylethyl)pyrrolidine-2-carboxylic acid
CID 45116092
1-(2-aminoethyl)pyrrolidine-2-carboxylic acid
CID 63653380
(2S)-1-[3-(4-methoxyanilino)-3-oxopropyl]pyrrolidine-2-carboxylic acid
CID 119910408
1-[3-(4-chloroanilino)-3-oxopropyl]pyrrolidine-2-carboxylic acid
CID 122099678
ethyl 1-[3-(ethylamino)-3-oxopropyl]pyrrolidine-2-carboxylate
CID 62326636
1-(4-hydroxybutyl)azepane-2-carboxylic acid
CID 64563148
N-(cyclohexylmethyl)-4-oxopentanamide
CID 60637241
(2S)-1-propylpyrrolidine-2-carboxylic acid;hydrochloride
CID 67785488
1-[3-(4-carbamoylanilino)-3-oxopropyl]pyrrolidine-2-carboxylic acid
CID 119909344

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclohexylmethylamino)-3-oxopropyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[3-(cyclohexylmethylamino)-3-oxopropyl]pyrrolidine-2-carboxylic acid (CID 119909089) is 1-[3-(cyclohexylmethylamino)-3-oxopropyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[3-(cyclohexylmethylamino)-3-oxopropyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[3-(cyclohexylmethylamino)-3-oxopropyl]pyrrolidine-2-carboxylic acid is O=C(CCN1CCCC1C(=O)O)NCC1CCCCC1.
What is the InChIKey of 1-[3-(cyclohexylmethylamino)-3-oxopropyl]pyrrolidine-2-carboxylic acid?
The InChIKey is WEDOBDMLJJHHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c18-14(16-11-12-5-2-1-3-6-12)8-10-17-9-4-7-13(17)15(19)20/h12-13H,1-11H2,(H,16,18)(H,19,20).
What are the key properties of 1-[3-(cyclohexylmethylamino)-3-oxopropyl]pyrrolidine-2-carboxylic acid?
1-[3-(cyclohexylmethylamino)-3-oxopropyl]pyrrolidine-2-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclohexylmethylamino)-3-oxopropyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119909089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).