[2-(cyclopentylamino)-2-oxoethyl] adamantane-2-carboxylate

C18H27NO3 — CID 8518445

IUPAC[2-(cyclopentylamino)-2-oxoethyl] adamantane-2-carboxylate
SMILESO=C(COC(=O)C1C2CC3CC(C2)CC1C3)NC1CCCC1
InChIInChI=1S/C18H27NO3/c20-16(19-15-3-1-2-4-15)10-22-18(21)17-13-6-11-5-12(8-13)9-14(17)7-11/h11-15,17H,1-10H2,(H,19,20)
InChIKeyFGMIHPVHPFGNOW-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.66
Rot. Bonds4

About [2-(cyclopentylamino)-2-oxoethyl] adamantane-2-carboxylate

[2-(cyclopentylamino)-2-oxoethyl] adamantane-2-carboxylate (PubChem CID 8518445) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] adamantane-2-carboxylate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] adamantane-2-carboxylate
PubChem CID8518445
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] adamantane-2-carboxylate
SMILESO=C(COC(=O)C1C2CC3CC(C2)CC1C3)NC1CCCC1
InChIInChI=1S/C18H27NO3/c20-16(19-15-3-1-2-4-15)10-22-18(21)17-13-6-11-5-12(8-13)9-14(17)7-11/h11-15,17H,1-10H2,(H,19,20)
InChIKeyFGMIHPVHPFGNOW-UHFFFAOYSA-N
XLogP2.66
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(cyclopentylamino)-2-oxoethyl] adamantane-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

[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] adamantane-2-carboxylate
CID 8519367
[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] adamantane-2-carboxylate
CID 11929135
[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] adamantane-2-carboxylate
CID 8519116
[2-(cyclooctylamino)-2-oxoethyl] adamantane-1-carboxylate
CID 23761708
[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] adamantane-2-carboxylate
CID 18280184
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] adamantane-2-carboxylate
CID 8519506
[2-(2,6-dichloroanilino)-2-oxoethyl] adamantane-2-carboxylate
CID 8518626
[2-(cyclopentylamino)-2-oxoethyl] 1-ethylpiperidine-2-carboxylate
CID 56806904
2-buta-1,3-dien-2-yloxy-N-cyclohexylacetamide
CID 170045974
[2-(cycloheptylamino)-2-oxoethyl] 2-[(5S,7R)-3-bromo-1-adamantyl]acetate
CID 7846853
N-cycloheptyl-N'-cyclopentylpropanediamide
CID 108942189
[2-oxo-2-(2-propan-2-ylanilino)ethyl] adamantane-2-carboxylate
CID 8518436

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] adamantane-2-carboxylate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] adamantane-2-carboxylate (CID 8518445) is [2-(cyclopentylamino)-2-oxoethyl] adamantane-2-carboxylate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] adamantane-2-carboxylate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] adamantane-2-carboxylate is O=C(COC(=O)C1C2CC3CC(C2)CC1C3)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] adamantane-2-carboxylate?
The InChIKey is FGMIHPVHPFGNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c20-16(19-15-3-1-2-4-15)10-22-18(21)17-13-6-11-5-12(8-13)9-14(17)7-11/h11-15,17H,1-10H2,(H,19,20).
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] adamantane-2-carboxylate?
[2-(cyclopentylamino)-2-oxoethyl] adamantane-2-carboxylate has a molecular weight of 305.42 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-2-oxoethyl] adamantane-2-carboxylate is sourced from PubChem (CID 8518445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).