methyl 3-[adamantane-1-carbonyl(methyl)amino]propanoate

C16H25NO3 — CID 60527943

IUPACmethyl 3-[adamantane-1-carbonyl(methyl)amino]propanoate
SMILESCOC(=O)CCN(C)C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H25NO3/c1-17(4-3-14(18)20-2)15(19)16-8-11-5-12(9-16)7-13(6-11)10-16/h11-13H,3-10H2,1-2H3
InChIKeyCXVHQPJXXCYUCK-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.22
Rot. Bonds4

About methyl 3-[adamantane-1-carbonyl(methyl)amino]propanoate

methyl 3-[adamantane-1-carbonyl(methyl)amino]propanoate (PubChem CID 60527943) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is methyl 3-[adamantane-1-carbonyl(methyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[adamantane-1-carbonyl(methyl)amino]propanoate
PubChem CID60527943
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Namemethyl 3-[adamantane-1-carbonyl(methyl)amino]propanoate
SMILESCOC(=O)CCN(C)C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H25NO3/c1-17(4-3-14(18)20-2)15(19)16-8-11-5-12(9-16)7-13(6-11)10-16/h11-13H,3-10H2,1-2H3
InChIKeyCXVHQPJXXCYUCK-UHFFFAOYSA-N
XLogP2.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[adamantane-1-carbonyl(methyl)amino]propanoate?
The IUPAC name of methyl 3-[adamantane-1-carbonyl(methyl)amino]propanoate (CID 60527943) is methyl 3-[adamantane-1-carbonyl(methyl)amino]propanoate.
What is the SMILES notation for methyl 3-[adamantane-1-carbonyl(methyl)amino]propanoate?
The canonical SMILES for methyl 3-[adamantane-1-carbonyl(methyl)amino]propanoate is COC(=O)CCN(C)C(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of methyl 3-[adamantane-1-carbonyl(methyl)amino]propanoate?
The InChIKey is CXVHQPJXXCYUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-17(4-3-14(18)20-2)15(19)16-8-11-5-12(9-16)7-13(6-11)10-16/h11-13H,3-10H2,1-2H3.
What are the key properties of methyl 3-[adamantane-1-carbonyl(methyl)amino]propanoate?
methyl 3-[adamantane-1-carbonyl(methyl)amino]propanoate has a molecular weight of 279.38 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[adamantane-1-carbonyl(methyl)amino]propanoate is sourced from PubChem (CID 60527943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).