1-[2-(cyclooctylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid

C15H26N2O3 — CID 119904852

IUPAC1-[2-(cyclooctylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
SMILESO=C(CN1CCC(C(=O)O)C1)NC1CCCCCCC1
InChIInChI=1S/C15H26N2O3/c18-14(11-17-9-8-12(10-17)15(19)20)16-13-6-4-2-1-3-5-7-13/h12-13H,1-11H2,(H,16,18)(H,19,20)
InChIKeyMCROBVJFLBNDGX-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.62
Rot. Bonds4

About 1-[2-(cyclooctylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid

1-[2-(cyclooctylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid (PubChem CID 119904852) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[2-(cyclooctylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(cyclooctylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
PubChem CID119904852
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-[2-(cyclooctylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
SMILESO=C(CN1CCC(C(=O)O)C1)NC1CCCCCCC1
InChIInChI=1S/C15H26N2O3/c18-14(11-17-9-8-12(10-17)15(19)20)16-13-6-4-2-1-3-5-7-13/h12-13H,1-11H2,(H,16,18)(H,19,20)
InChIKeyMCROBVJFLBNDGX-UHFFFAOYSA-N
XLogP1.62
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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,3S)-2-methyl-1-[2-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrolidine-3-carboxylic acid
CID 134305228
(2S,3S)-2-methyl-1-[2-(1,1,1-trifluoropropan-2-ylamino)acetyl]pyrrolidine-3-carboxylic acid
CID 134305229
(3S,4S)-1-[1-oxo-1-(pentylamino)propan-2-yl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120954175
(3S,4S)-1-[2-(cycloheptylamino)-2-oxoethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 120954297
(3S,4S)-1-[2-(cycloheptylamino)-2-oxoethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120954298
(3S,4S)-1-[2-(cyclooctylamino)-2-oxoethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 121820128
1-(Pyrrolidine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 10081902
1-{[(Propan-2-yl)carbamoyl]methyl}pyrrolidine-3-carboxylic acid
CID 17877874
1-[(Butylcarbamoyl)methyl]pyrrolidine-3-carboxylic acid
CID 19079851
1-[(Propylcarbamoyl)methyl]pyrrolidine-3-carboxylic acid
CID 22322508
1-[(Ethylcarbamoyl)methyl]pyrrolidine-3-carboxylic acid
CID 22322835
1-[1-Oxo-1-(propylamino)propan-2-yl]pyrrolidine-3-carboxylic acid
CID 22323010

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclooctylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(cyclooctylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid (CID 119904852) is 1-[2-(cyclooctylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(cyclooctylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(cyclooctylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid is O=C(CN1CCC(C(=O)O)C1)NC1CCCCCCC1.
What is the InChIKey of 1-[2-(cyclooctylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The InChIKey is MCROBVJFLBNDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c18-14(11-17-9-8-12(10-17)15(19)20)16-13-6-4-2-1-3-5-7-13/h12-13H,1-11H2,(H,16,18)(H,19,20).
What are the key properties of 1-[2-(cyclooctylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid?
1-[2-(cyclooctylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclooctylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119904852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).