benzyl 1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylate

C23H29NO4 — CID 4857905

IUPACbenzyl 1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylate
SMILESO=C(OCc1ccccc1)C1CC(O)CN1C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H29NO4/c25-19-9-20(21(26)28-14-15-4-2-1-3-5-15)24(13-19)22(27)23-10-16-6-17(11-23)8-18(7-16)12-23/h1-5,16-20,25H,6-14H2
InChIKeyKBUDHXSBEIVQQM-UHFFFAOYSA-N
MW383.49 g/mol
LogP2.91
Rot. Bonds4

About benzyl 1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylate

benzyl 1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylate (PubChem CID 4857905) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is benzyl 1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Namebenzyl 1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylate
PubChem CID4857905
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC Namebenzyl 1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylate
SMILESO=C(OCc1ccccc1)C1CC(O)CN1C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H29NO4/c25-19-9-20(21(26)28-14-15-4-2-1-3-5-15)24(13-19)22(27)23-10-16-6-17(11-23)8-18(7-16)12-23/h1-5,16-20,25H,6-14H2
InChIKeyKBUDHXSBEIVQQM-UHFFFAOYSA-N
XLogP2.91
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze benzyl 1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-cyanophenyl)methyl 1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylate
CID 45352671
(4-methoxycarbonylphenyl)methyl (2S,4R)-1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylate
CID 27933122
dibenzyl (2S)-4-hydroxypyrrolidine-1,2-dicarboxylate
CID 57008512
(3-methylquinoxalin-2-yl)methyl (2R,4R)-1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylate
CID 39967337
(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl (2S)-1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylate
CID 55935932
(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl (2S)-1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylate
CID 46610906
3-(4-chlorophenoxy)propyl (2S)-1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylate
CID 55939161
[2-(4-acetamidoanilino)-2-oxoethyl] (2S)-1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylate
CID 55944514
[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl] (2S)-1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylate
CID 55934855
(2R,4S)-1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 7129275
[2-(4-methylanilino)-2-oxoethyl] (2S)-1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylate
CID 55943918
[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] (2S)-1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylate
CID 55935852

Frequently Asked Questions

What is the IUPAC name of benzyl 1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylate?
The IUPAC name of benzyl 1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylate (CID 4857905) is benzyl 1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylate.
What is the SMILES notation for benzyl 1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylate?
The canonical SMILES for benzyl 1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylate is O=C(OCc1ccccc1)C1CC(O)CN1C(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of benzyl 1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylate?
The InChIKey is KBUDHXSBEIVQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO4/c25-19-9-20(21(26)28-14-15-4-2-1-3-5-15)24(13-19)22(27)23-10-16-6-17(11-23)8-18(7-16)12-23/h1-5,16-20,25H,6-14H2.
What are the key properties of benzyl 1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylate?
benzyl 1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylate has a molecular weight of 383.49 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylate is sourced from PubChem (CID 4857905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).