[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-[(5S,7S)-3-hydroxy-1-adamantyl]acetate

C19H30N2O5 — CID 23376830

IUPAC[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-[(5S,7S)-3-hydroxy-1-adamantyl]acetate
SMILESCC[C@H](C)NC(=O)NC(=O)COC(=O)CC12C[C@@H]3C[C@H](CC(O)(C3)C1)C2
InChIInChI=1S/C19H30N2O5/c1-3-12(2)20-17(24)21-15(22)10-26-16(23)9-18-5-13-4-14(6-18)8-19(25,7-13)11-18/h12-14,25H,3-11H2,1-2H3,(H2,20,21,22,24)/t12-,13-,14-,18?,19?/m0/s1
InChIKeyZAFDEONEYWOVPH-HQIQFYROSA-N
MW366.46 g/mol
LogP1.88
Rot. Bonds6

About [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-[(5S,7S)-3-hydroxy-1-adamantyl]acetate

[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-[(5S,7S)-3-hydroxy-1-adamantyl]acetate (PubChem CID 23376830) has the molecular formula C19H30N2O5 and a molecular weight of 366.46 g/mol. Its IUPAC name is [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-[(5S,7S)-3-hydroxy-1-adamantyl]acetate.

Molecular Properties

Compound Name[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-[(5S,7S)-3-hydroxy-1-adamantyl]acetate
PubChem CID23376830
Molecular FormulaC19H30N2O5
Molecular Weight366.46 g/mol
Exact Mass366.22
IUPAC Name[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-[(5S,7S)-3-hydroxy-1-adamantyl]acetate
SMILESCC[C@H](C)NC(=O)NC(=O)COC(=O)CC12C[C@@H]3C[C@H](CC(O)(C3)C1)C2
InChIInChI=1S/C19H30N2O5/c1-3-12(2)20-17(24)21-15(22)10-26-16(23)9-18-5-13-4-14(6-18)8-19(25,7-13)11-18/h12-14,25H,3-11H2,1-2H3,(H2,20,21,22,24)/t12-,13-,14-,18?,19?/m0/s1
InChIKeyZAFDEONEYWOVPH-HQIQFYROSA-N
XLogP1.88
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-[(5S,7S)-3-hydroxy-1-adamantyl]acetate with MolForge

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Related Compounds

[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(5S,7S)-3-hydroxy-1-adamantyl]acetate
CID 23376803
[2-(4-methoxyanilino)-2-oxoethyl] 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate
CID 9126954
N-[(2S)-butan-2-yl]-2-[3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-1-adamantyl]acetamide
CID 7740968
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(5S,7S)-3-hydroxy-1-adamantyl]acetate
CID 9127609
[2-(4-methylanilino)-2-oxoethyl] 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate
CID 9126908
[2-(3-methylanilino)-2-oxoethyl] 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate
CID 9126869
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-[(5S,7R)-3-bromo-1-adamantyl]acetate
CID 9319608
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate
CID 9127801
phenacyl 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate
CID 9127158
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] (5R,7R)-3-hydroxyadamantane-1-carboxylate
CID 98277313
[2-oxo-2-(propylcarbamoylamino)ethyl] (5R,7R)-3-hydroxyadamantane-1-carboxylate
CID 21268393
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (5S,7R)-3-chloroadamantane-1-carboxylate
CID 2406578

Frequently Asked Questions

What is the IUPAC name of [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-[(5S,7S)-3-hydroxy-1-adamantyl]acetate?
The IUPAC name of [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-[(5S,7S)-3-hydroxy-1-adamantyl]acetate (CID 23376830) is [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-[(5S,7S)-3-hydroxy-1-adamantyl]acetate.
What is the SMILES notation for [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-[(5S,7S)-3-hydroxy-1-adamantyl]acetate?
The canonical SMILES for [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-[(5S,7S)-3-hydroxy-1-adamantyl]acetate is CC[C@H](C)NC(=O)NC(=O)COC(=O)CC12C[C@@H]3C[C@H](CC(O)(C3)C1)C2.
What is the InChIKey of [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-[(5S,7S)-3-hydroxy-1-adamantyl]acetate?
The InChIKey is ZAFDEONEYWOVPH-HQIQFYROSA-N. The full InChI is InChI=1S/C19H30N2O5/c1-3-12(2)20-17(24)21-15(22)10-26-16(23)9-18-5-13-4-14(6-18)8-19(25,7-13)11-18/h12-14,25H,3-11H2,1-2H3,(H2,20,21,22,24)/t12-,13-,14-,18?,19?/m0/s1.
What are the key properties of [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-[(5S,7S)-3-hydroxy-1-adamantyl]acetate?
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-[(5S,7S)-3-hydroxy-1-adamantyl]acetate has a molecular weight of 366.46 g/mol, XLogP of 1.88, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-[(5S,7S)-3-hydroxy-1-adamantyl]acetate is sourced from PubChem (CID 23376830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).