(5-amino-2-adamantyl)carbamic acid

C11H18N2O2 — CID 67979702

IUPAC(5-amino-2-adamantyl)carbamic acid
SMILESNC12CC3CC(C1)C(NC(=O)O)C(C3)C2
InChIInChI=1S/C11H18N2O2/c12-11-3-6-1-7(4-11)9(13-10(14)15)8(2-6)5-11/h6-9,13H,1-5,12H2,(H,14,15)
InChIKeyLNXFRQRFLOOOGI-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.16
Rot. Bonds1

About (5-amino-2-adamantyl)carbamic acid

(5-amino-2-adamantyl)carbamic acid (PubChem CID 67979702) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is (5-amino-2-adamantyl)carbamic acid.

Molecular Properties

Compound Name(5-amino-2-adamantyl)carbamic acid
PubChem CID67979702
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name(5-amino-2-adamantyl)carbamic acid
SMILESNC12CC3CC(C1)C(NC(=O)O)C(C3)C2
InChIInChI=1S/C11H18N2O2/c12-11-3-6-1-7(4-11)9(13-10(14)15)8(2-6)5-11/h6-9,13H,1-5,12H2,(H,14,15)
InChIKeyLNXFRQRFLOOOGI-UHFFFAOYSA-N
XLogP1.16
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-amino-2-adamantyl)carbamic acid?
The IUPAC name of (5-amino-2-adamantyl)carbamic acid (CID 67979702) is (5-amino-2-adamantyl)carbamic acid.
What is the SMILES notation for (5-amino-2-adamantyl)carbamic acid?
The canonical SMILES for (5-amino-2-adamantyl)carbamic acid is NC12CC3CC(C1)C(NC(=O)O)C(C3)C2.
What is the InChIKey of (5-amino-2-adamantyl)carbamic acid?
The InChIKey is LNXFRQRFLOOOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c12-11-3-6-1-7(4-11)9(13-10(14)15)8(2-6)5-11/h6-9,13H,1-5,12H2,(H,14,15).
What are the key properties of (5-amino-2-adamantyl)carbamic acid?
(5-amino-2-adamantyl)carbamic acid has a molecular weight of 210.28 g/mol, XLogP of 1.16, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-adamantyl)carbamic acid is sourced from PubChem (CID 67979702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).