4-[1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]morpholine-2-carboxylic acid

C21H30N2O5 — CID 119238863

IUPAC4-[1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)C2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)CCO1
InChIInChI=1S/C21H30N2O5/c24-18(22-4-5-28-17(12-22)19(25)26)16-2-1-3-23(16)20(27)21-9-13-6-14(10-21)8-15(7-13)11-21/h13-17H,1-12H2,(H,25,26)
InChIKeyYGZUSSAMPYHNLT-UHFFFAOYSA-N
MW390.48 g/mol
LogP1.51
Rot. Bonds3

About 4-[1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]morpholine-2-carboxylic acid

4-[1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]morpholine-2-carboxylic acid (PubChem CID 119238863) has the molecular formula C21H30N2O5 and a molecular weight of 390.48 g/mol. Its IUPAC name is 4-[1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]morpholine-2-carboxylic acid
PubChem CID119238863
Molecular FormulaC21H30N2O5
Molecular Weight390.48 g/mol
Exact Mass390.22
IUPAC Name4-[1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)C2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)CCO1
InChIInChI=1S/C21H30N2O5/c24-18(22-4-5-28-17(12-22)19(25)26)16-2-1-3-23(16)20(27)21-9-13-6-14(10-21)8-15(7-13)11-21/h13-17H,1-12H2,(H,25,26)
InChIKeyYGZUSSAMPYHNLT-UHFFFAOYSA-N
XLogP1.51
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 124628785
[(2S)-1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 36713542
[(2S)-1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[4-[(2R)-2-methylmorpholin-4-yl]piperidin-1-yl]methanone
CID 95668203
[4-[1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-cyclobutylmethanone
CID 56512274
[1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 119402982
[1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[3-(aminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119486324
1-[(2S)-1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]piperidine-4-carboxamide
CID 51969018
[1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119397972
1-[4-[1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55496847
2-[4-[1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-methylpropanamide
CID 75534006
4-[(2S)-1-butan-2-ylpyrrolidine-2-carbonyl]morpholine-2-carboxylic acid
CID 170367679
methyl (2S)-1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate
CID 7439326

Frequently Asked Questions

What is the IUPAC name of 4-[1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]morpholine-2-carboxylic acid (CID 119238863) is 4-[1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]morpholine-2-carboxylic acid is O=C(O)C1CN(C(=O)C2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)CCO1.
What is the InChIKey of 4-[1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]morpholine-2-carboxylic acid?
The InChIKey is YGZUSSAMPYHNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O5/c24-18(22-4-5-28-17(12-22)19(25)26)16-2-1-3-23(16)20(27)21-9-13-6-14(10-21)8-15(7-13)11-21/h13-17H,1-12H2,(H,25,26).
What are the key properties of 4-[1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]morpholine-2-carboxylic acid?
4-[1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]morpholine-2-carboxylic acid has a molecular weight of 390.48 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 119238863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).