ethyl 3-[[2-(1-adamantyl)acetyl]amino]propanoate

C17H27NO3 — CID 57481268

IUPACethyl 3-[[2-(1-adamantyl)acetyl]amino]propanoate
SMILESCCOC(=O)CCNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H27NO3/c1-2-21-16(20)3-4-18-15(19)11-17-8-12-5-13(9-17)7-14(6-12)10-17/h12-14H,2-11H2,1H3,(H,18,19)
InChIKeySGQUTHVCXOEFQP-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.66
Rot. Bonds6

About ethyl 3-[[2-(1-adamantyl)acetyl]amino]propanoate

ethyl 3-[[2-(1-adamantyl)acetyl]amino]propanoate (PubChem CID 57481268) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is ethyl 3-[[2-(1-adamantyl)acetyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[2-(1-adamantyl)acetyl]amino]propanoate
PubChem CID57481268
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Nameethyl 3-[[2-(1-adamantyl)acetyl]amino]propanoate
SMILESCCOC(=O)CCNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H27NO3/c1-2-21-16(20)3-4-18-15(19)11-17-8-12-5-13(9-17)7-14(6-12)10-17/h12-14H,2-11H2,1H3,(H,18,19)
InChIKeySGQUTHVCXOEFQP-UHFFFAOYSA-N
XLogP2.66
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-(1-adamantyl)acetyl]amino]propanoate?
The IUPAC name of ethyl 3-[[2-(1-adamantyl)acetyl]amino]propanoate (CID 57481268) is ethyl 3-[[2-(1-adamantyl)acetyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[[2-(1-adamantyl)acetyl]amino]propanoate?
The canonical SMILES for ethyl 3-[[2-(1-adamantyl)acetyl]amino]propanoate is CCOC(=O)CCNC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of ethyl 3-[[2-(1-adamantyl)acetyl]amino]propanoate?
The InChIKey is SGQUTHVCXOEFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-2-21-16(20)3-4-18-15(19)11-17-8-12-5-13(9-17)7-14(6-12)10-17/h12-14H,2-11H2,1H3,(H,18,19).
What are the key properties of ethyl 3-[[2-(1-adamantyl)acetyl]amino]propanoate?
ethyl 3-[[2-(1-adamantyl)acetyl]amino]propanoate has a molecular weight of 293.41 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-(1-adamantyl)acetyl]amino]propanoate is sourced from PubChem (CID 57481268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).