(2-amino-2-oxoethyl) 3-(adamantane-1-carbonylamino)propanoate

C16H24N2O4 — CID 8528535

IUPAC(2-amino-2-oxoethyl) 3-(adamantane-1-carbonylamino)propanoate
SMILESNC(=O)COC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H24N2O4/c17-13(19)9-22-14(20)1-2-18-15(21)16-6-10-3-11(7-16)5-12(4-10)8-16/h10-12H,1-9H2,(H2,17,19)(H,18,21)
InChIKeySYHQMEAVQFAZRA-UHFFFAOYSA-N
MW308.38 g/mol
LogP0.74
Rot. Bonds6

About (2-amino-2-oxoethyl) 3-(adamantane-1-carbonylamino)propanoate

(2-amino-2-oxoethyl) 3-(adamantane-1-carbonylamino)propanoate (PubChem CID 8528535) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 3-(adamantane-1-carbonylamino)propanoate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 3-(adamantane-1-carbonylamino)propanoate
PubChem CID8528535
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name(2-amino-2-oxoethyl) 3-(adamantane-1-carbonylamino)propanoate
SMILESNC(=O)COC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H24N2O4/c17-13(19)9-22-14(20)1-2-18-15(21)16-6-10-3-11(7-16)5-12(4-10)8-16/h10-12H,1-9H2,(H2,17,19)(H,18,21)
InChIKeySYHQMEAVQFAZRA-UHFFFAOYSA-N
XLogP0.74
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-morpholin-4-yl-2-oxoethyl) 3-(adamantane-1-carbonylamino)propanoate
CID 8528600
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(adamantane-1-carbonylamino)propanoate
CID 8509142
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(adamantane-1-carbonylamino)propanoate
CID 8528272
2-tert-butylsulfanylethyl 3-(adamantane-1-carbonylamino)propanoate
CID 86944040
N-(3-amino-3-hydroxyiminopropyl)adamantane-1-carboxamide
CID 76952741
(4-bromophenyl)methyl 3-(adamantane-1-carbonylamino)propanoate
CID 8528544
[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
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 3-(adamantane-1-carbonylamino)propanoate
CID 8528675
N-(3-aminopropyl)adamantane-1-carboxamide
CID 3117359
[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxoethyl] 3-(adamantane-1-carbonylamino)propanoate
CID 55357618
[2-(methylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 3667781

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 3-(adamantane-1-carbonylamino)propanoate?
The IUPAC name of (2-amino-2-oxoethyl) 3-(adamantane-1-carbonylamino)propanoate (CID 8528535) is (2-amino-2-oxoethyl) 3-(adamantane-1-carbonylamino)propanoate.
What is the SMILES notation for (2-amino-2-oxoethyl) 3-(adamantane-1-carbonylamino)propanoate?
The canonical SMILES for (2-amino-2-oxoethyl) 3-(adamantane-1-carbonylamino)propanoate is NC(=O)COC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of (2-amino-2-oxoethyl) 3-(adamantane-1-carbonylamino)propanoate?
The InChIKey is SYHQMEAVQFAZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c17-13(19)9-22-14(20)1-2-18-15(21)16-6-10-3-11(7-16)5-12(4-10)8-16/h10-12H,1-9H2,(H2,17,19)(H,18,21).
What are the key properties of (2-amino-2-oxoethyl) 3-(adamantane-1-carbonylamino)propanoate?
(2-amino-2-oxoethyl) 3-(adamantane-1-carbonylamino)propanoate has a molecular weight of 308.38 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 3-(adamantane-1-carbonylamino)propanoate is sourced from PubChem (CID 8528535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).