[(3R)-2-oxooxolan-3-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate

C18H25NO5 — CID 7251643

IUPAC[(3R)-2-oxooxolan-3-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)O[C@@H]1CCOC1=O
InChIInChI=1S/C18H25NO5/c20-15(19-10-16(21)24-14-1-2-23-17(14)22)9-18-6-11-3-12(7-18)5-13(4-11)8-18/h11-14H,1-10H2,(H,19,20)/t11?,12?,13?,14-,18?/m1/s1
InChIKeyDKQMACMPSSMWFE-UDMGLPGGSA-N
MW335.40 g/mol
LogP1.57
Rot. Bonds5

About [(3R)-2-oxooxolan-3-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate

[(3R)-2-oxooxolan-3-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate (PubChem CID 7251643) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is [(3R)-2-oxooxolan-3-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate.

Molecular Properties

Compound Name[(3R)-2-oxooxolan-3-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
PubChem CID7251643
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Name[(3R)-2-oxooxolan-3-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)O[C@@H]1CCOC1=O
InChIInChI=1S/C18H25NO5/c20-15(19-10-16(21)24-14-1-2-23-17(14)22)9-18-6-11-3-12(7-18)5-13(4-11)8-18/h11-14H,1-10H2,(H,19,20)/t11?,12?,13?,14-,18?/m1/s1
InChIKeyDKQMACMPSSMWFE-UDMGLPGGSA-N
XLogP1.57
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-2-oxooxolan-3-yl] 2-(adamantane-1-carbonylamino)acetate
CID 7190831
2-(1-adamantyl)-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 51163037
2-(1-adamantyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide
CID 7601341
2-[[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl]carbamoylamino]ethyl prop-2-enoate
CID 20643852
[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7360351
2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate
CID 91176528
[(1S)-1-phenylethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7755317
2-(1-adamantyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]acetamide
CID 35808688
(2-oxo-2-pyrrolidin-1-ylethyl) 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7755543
2-(1,3-dioxoisoindol-2-yl)ethyl 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7755481
[2-(4-fluorophenyl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7251646
2-(1-adamantyl)-N-(oxolan-2-ylmethyl)acetamide
CID 6457745

Frequently Asked Questions

What is the IUPAC name of [(3R)-2-oxooxolan-3-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate?
The IUPAC name of [(3R)-2-oxooxolan-3-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate (CID 7251643) is [(3R)-2-oxooxolan-3-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate.
What is the SMILES notation for [(3R)-2-oxooxolan-3-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate?
The canonical SMILES for [(3R)-2-oxooxolan-3-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate is O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)O[C@@H]1CCOC1=O.
What is the InChIKey of [(3R)-2-oxooxolan-3-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate?
The InChIKey is DKQMACMPSSMWFE-UDMGLPGGSA-N. The full InChI is InChI=1S/C18H25NO5/c20-15(19-10-16(21)24-14-1-2-23-17(14)22)9-18-6-11-3-12(7-18)5-13(4-11)8-18/h11-14H,1-10H2,(H,19,20)/t11?,12?,13?,14-,18?/m1/s1.
What are the key properties of [(3R)-2-oxooxolan-3-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate?
[(3R)-2-oxooxolan-3-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate has a molecular weight of 335.40 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-2-oxooxolan-3-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate is sourced from PubChem (CID 7251643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).