1-adamantylmethylcarbamic acid

C12H19NO2 — CID 57287611

IUPAC1-adamantylmethylcarbamic acid
SMILESO=C(O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H19NO2/c14-11(15)13-7-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10,13H,1-7H2,(H,14,15)
InChIKeyXMQDCHRNHDLPRJ-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.47
Rot. Bonds2

About 1-adamantylmethylcarbamic acid

1-adamantylmethylcarbamic acid (PubChem CID 57287611) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-adamantylmethylcarbamic acid.

Molecular Properties

Compound Name1-adamantylmethylcarbamic acid
PubChem CID57287611
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-adamantylmethylcarbamic acid
SMILESO=C(O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H19NO2/c14-11(15)13-7-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10,13H,1-7H2,(H,14,15)
InChIKeyXMQDCHRNHDLPRJ-UHFFFAOYSA-N
XLogP2.47
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-adamantylmethylcarbamic acid?
The IUPAC name of 1-adamantylmethylcarbamic acid (CID 57287611) is 1-adamantylmethylcarbamic acid.
What is the SMILES notation for 1-adamantylmethylcarbamic acid?
The canonical SMILES for 1-adamantylmethylcarbamic acid is O=C(O)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantylmethylcarbamic acid?
The InChIKey is XMQDCHRNHDLPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c14-11(15)13-7-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10,13H,1-7H2,(H,14,15).
What are the key properties of 1-adamantylmethylcarbamic acid?
1-adamantylmethylcarbamic acid has a molecular weight of 209.29 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantylmethylcarbamic acid is sourced from PubChem (CID 57287611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).