[2-oxo-2-(propylcarbamoylamino)ethyl] (5R,7R)-3-hydroxyadamantane-1-carboxylate

C17H26N2O5 — CID 21268393

IUPAC[2-oxo-2-(propylcarbamoylamino)ethyl] (5R,7R)-3-hydroxyadamantane-1-carboxylate
SMILESCCCNC(=O)NC(=O)COC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2
InChIInChI=1S/C17H26N2O5/c1-2-3-18-15(22)19-13(20)9-24-14(21)16-5-11-4-12(6-16)8-17(23,7-11)10-16/h11-12,23H,2-10H2,1H3,(H2,18,19,20,22)/t11-,12-,16?,17?/m1/s1
InChIKeyVGSQJDMHUSYELY-VDQHWBOFSA-N
MW338.40 g/mol
LogP1.10
Rot. Bonds5

About [2-oxo-2-(propylcarbamoylamino)ethyl] (5R,7R)-3-hydroxyadamantane-1-carboxylate

[2-oxo-2-(propylcarbamoylamino)ethyl] (5R,7R)-3-hydroxyadamantane-1-carboxylate (PubChem CID 21268393) has the molecular formula C17H26N2O5 and a molecular weight of 338.40 g/mol. Its IUPAC name is [2-oxo-2-(propylcarbamoylamino)ethyl] (5R,7R)-3-hydroxyadamantane-1-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(propylcarbamoylamino)ethyl] (5R,7R)-3-hydroxyadamantane-1-carboxylate
PubChem CID21268393
Molecular FormulaC17H26N2O5
Molecular Weight338.40 g/mol
Exact Mass338.18
IUPAC Name[2-oxo-2-(propylcarbamoylamino)ethyl] (5R,7R)-3-hydroxyadamantane-1-carboxylate
SMILESCCCNC(=O)NC(=O)COC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2
InChIInChI=1S/C17H26N2O5/c1-2-3-18-15(22)19-13(20)9-24-14(21)16-5-11-4-12(6-16)8-17(23,7-11)10-16/h11-12,23H,2-10H2,1H3,(H2,18,19,20,22)/t11-,12-,16?,17?/m1/s1
InChIKeyVGSQJDMHUSYELY-VDQHWBOFSA-N
XLogP1.10
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] (5R,7R)-3-hydroxyadamantane-1-carboxylate
CID 98277313
[2-(ethylcarbamoylamino)-2-oxoethyl] (5S,7S)-3-bromoadamantane-1-carboxylate
CID 23350592
[2-(3-methylbutylamino)-2-oxoethyl] (5S,7S)-3-hydroxyadamantane-1-carboxylate
CID 22489736
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] (5S,7S)-3-hydroxyadamantane-1-carboxylate
CID 22489777
[2-(1-adamantylamino)-2-oxoethyl] (5R,7R)-3-hydroxyadamantane-1-carboxylate
CID 18532833
[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] (5R,7R)-3-acetamidoadamantane-1-carboxylate
CID 98218993
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (5S,7R)-3-bromoadamantane-1-carboxylate
CID 7833164
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (5S,7R)-3-chloroadamantane-1-carboxylate
CID 7447991
[2-(4-acetamidoanilino)-2-oxoethyl] 3-hydroxyadamantane-1-carboxylate
CID 4543424
[2-(methylcarbamoylamino)-2-oxoethyl] adamantane-1-carboxylate
CID 4310551
[2-(3,4-dimethylanilino)-2-oxoethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate
CID 7470768
[2-oxo-2-(propylcarbamoylamino)ethyl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 2619024

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propylcarbamoylamino)ethyl] (5R,7R)-3-hydroxyadamantane-1-carboxylate?
The IUPAC name of [2-oxo-2-(propylcarbamoylamino)ethyl] (5R,7R)-3-hydroxyadamantane-1-carboxylate (CID 21268393) is [2-oxo-2-(propylcarbamoylamino)ethyl] (5R,7R)-3-hydroxyadamantane-1-carboxylate.
What is the SMILES notation for [2-oxo-2-(propylcarbamoylamino)ethyl] (5R,7R)-3-hydroxyadamantane-1-carboxylate?
The canonical SMILES for [2-oxo-2-(propylcarbamoylamino)ethyl] (5R,7R)-3-hydroxyadamantane-1-carboxylate is CCCNC(=O)NC(=O)COC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2.
What is the InChIKey of [2-oxo-2-(propylcarbamoylamino)ethyl] (5R,7R)-3-hydroxyadamantane-1-carboxylate?
The InChIKey is VGSQJDMHUSYELY-VDQHWBOFSA-N. The full InChI is InChI=1S/C17H26N2O5/c1-2-3-18-15(22)19-13(20)9-24-14(21)16-5-11-4-12(6-16)8-17(23,7-11)10-16/h11-12,23H,2-10H2,1H3,(H2,18,19,20,22)/t11-,12-,16?,17?/m1/s1.
What are the key properties of [2-oxo-2-(propylcarbamoylamino)ethyl] (5R,7R)-3-hydroxyadamantane-1-carboxylate?
[2-oxo-2-(propylcarbamoylamino)ethyl] (5R,7R)-3-hydroxyadamantane-1-carboxylate has a molecular weight of 338.40 g/mol, XLogP of 1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propylcarbamoylamino)ethyl] (5R,7R)-3-hydroxyadamantane-1-carboxylate is sourced from PubChem (CID 21268393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).