[2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] adamantane-1-carboxylate

C19H30N2O4 — CID 9017863

IUPAC[2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] adamantane-1-carboxylate
SMILESCCCNC(=O)[C@H](C)NC(=O)COC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H30N2O4/c1-3-4-20-17(23)12(2)21-16(22)11-25-18(24)19-8-13-5-14(9-19)7-15(6-13)10-19/h12-15H,3-11H2,1-2H3,(H,20,23)(H,21,22)/t12-,13?,14?,15?,19?/m0/s1
InChIKeyORLRVAHXZOSICI-UHSVVUDUSA-N
MW350.46 g/mol
LogP1.78
Rot. Bonds7

About [2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] adamantane-1-carboxylate

[2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] adamantane-1-carboxylate (PubChem CID 9017863) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is [2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] adamantane-1-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] adamantane-1-carboxylate
PubChem CID9017863
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC Name[2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] adamantane-1-carboxylate
SMILESCCCNC(=O)[C@H](C)NC(=O)COC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H30N2O4/c1-3-4-20-17(23)12(2)21-16(22)11-25-18(24)19-8-13-5-14(9-19)7-15(6-13)10-19/h12-15H,3-11H2,1-2H3,(H,20,23)(H,21,22)/t12-,13?,14?,15?,19?/m0/s1
InChIKeyORLRVAHXZOSICI-UHSVVUDUSA-N
XLogP1.78
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] adamantane-1-carboxylate
CID 18201052
[2-oxo-2-(propylcarbamoylamino)ethyl] (5R,7R)-3-hydroxyadamantane-1-carboxylate
CID 21268393
[2-(carbamoylamino)-2-oxoethyl] adamantane-1-carboxylate
CID 4534845
[2-(methylcarbamoylamino)-2-oxoethyl] adamantane-1-carboxylate
CID 4310551
[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] (5S,7R)-3-chloroadamantane-1-carboxylate
CID 7843970
(2S)-2-[(2-chloroacetyl)amino]-N-propylpropanamide
CID 9207769
[2-(2-adamantylamino)-2-oxoethyl] adamantane-1-carboxylate
CID 7514400
[2-(3-methylbutylamino)-2-oxoethyl] (5S,7S)-3-hydroxyadamantane-1-carboxylate
CID 22489736
[2-(cyclooctylamino)-2-oxoethyl] adamantane-1-carboxylate
CID 23761708
[2-(4-acetamidoanilino)-2-oxoethyl] adamantane-1-carboxylate
CID 4877219
2-[(2-piperidin-4-ylacetyl)amino]-N-propylpropanamide
CID 54980022
[2-oxo-2-(trifluoromethylsulfonylamino)ethyl] adamantane-1-carboxylate
CID 58030646

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] adamantane-1-carboxylate?
The IUPAC name of [2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] adamantane-1-carboxylate (CID 9017863) is [2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] adamantane-1-carboxylate.
What is the SMILES notation for [2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] adamantane-1-carboxylate?
The canonical SMILES for [2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] adamantane-1-carboxylate is CCCNC(=O)[C@H](C)NC(=O)COC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] adamantane-1-carboxylate?
The InChIKey is ORLRVAHXZOSICI-UHSVVUDUSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-3-4-20-17(23)12(2)21-16(22)11-25-18(24)19-8-13-5-14(9-19)7-15(6-13)10-19/h12-15H,3-11H2,1-2H3,(H,20,23)(H,21,22)/t12-,13?,14?,15?,19?/m0/s1.
What are the key properties of [2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] adamantane-1-carboxylate?
[2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] adamantane-1-carboxylate has a molecular weight of 350.46 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] adamantane-1-carboxylate is sourced from PubChem (CID 9017863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).