(2-morpholin-4-yl-2-oxoethyl) 3-(adamantane-1-carbonylamino)propanoate

C20H30N2O5 — CID 8528600

IUPAC(2-morpholin-4-yl-2-oxoethyl) 3-(adamantane-1-carbonylamino)propanoate
SMILESO=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)OCC(=O)N1CCOCC1
InChIInChI=1S/C20H30N2O5/c23-17(22-3-5-26-6-4-22)13-27-18(24)1-2-21-19(25)20-10-14-7-15(11-20)9-16(8-14)12-20/h14-16H,1-13H2,(H,21,25)
InChIKeyPMJBQMQAPMPBSX-UHFFFAOYSA-N
MW378.47 g/mol
LogP1.11
Rot. Bonds6

About (2-morpholin-4-yl-2-oxoethyl) 3-(adamantane-1-carbonylamino)propanoate

(2-morpholin-4-yl-2-oxoethyl) 3-(adamantane-1-carbonylamino)propanoate (PubChem CID 8528600) has the molecular formula C20H30N2O5 and a molecular weight of 378.47 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxoethyl) 3-(adamantane-1-carbonylamino)propanoate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxoethyl) 3-(adamantane-1-carbonylamino)propanoate
PubChem CID8528600
Molecular FormulaC20H30N2O5
Molecular Weight378.47 g/mol
Exact Mass378.22
IUPAC Name(2-morpholin-4-yl-2-oxoethyl) 3-(adamantane-1-carbonylamino)propanoate
SMILESO=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)OCC(=O)N1CCOCC1
InChIInChI=1S/C20H30N2O5/c23-17(22-3-5-26-6-4-22)13-27-18(24)1-2-21-19(25)20-10-14-7-15(11-20)9-16(8-14)12-20/h14-16H,1-13H2,(H,21,25)
InChIKeyPMJBQMQAPMPBSX-UHFFFAOYSA-N
XLogP1.11
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-amino-2-oxoethyl) 3-(adamantane-1-carbonylamino)propanoate
CID 8528535
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(adamantane-1-carbonylamino)propanoate
CID 8528272
N-(2-morpholin-4-ylethyl)adamantane-1-carboxamide
CID 2862149
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(adamantane-1-carbonylamino)propanoate
CID 8509142
2-tert-butylsulfanylethyl 3-(adamantane-1-carbonylamino)propanoate
CID 86944040
(2-morpholin-4-yl-2-oxoethyl) 3-cyclopentylpropanoate
CID 2347988
(4-bromophenyl)methyl 3-(adamantane-1-carbonylamino)propanoate
CID 8528544
1-[(3-morpholin-4-yl-3-oxopropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 113355806
N-(morpholine-4-carbothioyl)adamantane-1-carboxamide
CID 2830735
N-[4-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-4-oxobutyl]adamantane-1-carboxamide
CID 24506270
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 3-(adamantane-1-carbonylamino)propanoate
CID 8529028
[2-(2,5-dimethylanilino)-2-oxoethyl] 3-(adamantane-1-carbonylamino)propanoate
CID 8528825

Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 3-(adamantane-1-carbonylamino)propanoate?
The IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 3-(adamantane-1-carbonylamino)propanoate (CID 8528600) is (2-morpholin-4-yl-2-oxoethyl) 3-(adamantane-1-carbonylamino)propanoate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxoethyl) 3-(adamantane-1-carbonylamino)propanoate?
The canonical SMILES for (2-morpholin-4-yl-2-oxoethyl) 3-(adamantane-1-carbonylamino)propanoate is O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)OCC(=O)N1CCOCC1.
What is the InChIKey of (2-morpholin-4-yl-2-oxoethyl) 3-(adamantane-1-carbonylamino)propanoate?
The InChIKey is PMJBQMQAPMPBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O5/c23-17(22-3-5-26-6-4-22)13-27-18(24)1-2-21-19(25)20-10-14-7-15(11-20)9-16(8-14)12-20/h14-16H,1-13H2,(H,21,25).
What are the key properties of (2-morpholin-4-yl-2-oxoethyl) 3-(adamantane-1-carbonylamino)propanoate?
(2-morpholin-4-yl-2-oxoethyl) 3-(adamantane-1-carbonylamino)propanoate has a molecular weight of 378.47 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-2-oxoethyl) 3-(adamantane-1-carbonylamino)propanoate is sourced from PubChem (CID 8528600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).