[(1S,3R)-5-(aminomethyl)-2-adamantyl]carbamic acid

C12H20N2O2 — CID 67184000

IUPAC[(1S,3R)-5-(aminomethyl)-2-adamantyl]carbamic acid
SMILESNCC12CC3C[C@H](C1)C(NC(=O)O)[C@@H](C3)C2
InChIInChI=1S/C12H20N2O2/c13-6-12-3-7-1-8(4-12)10(14-11(15)16)9(2-7)5-12/h7-10,14H,1-6,13H2,(H,15,16)/t7?,8-,9+,10?,12?
InChIKeyKUCBHFDPUJWCLV-UFRKCTDVSA-N
MW224.30 g/mol
LogP1.41
Rot. Bonds2

About [(1S,3R)-5-(aminomethyl)-2-adamantyl]carbamic acid

[(1S,3R)-5-(aminomethyl)-2-adamantyl]carbamic acid (PubChem CID 67184000) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is [(1S,3R)-5-(aminomethyl)-2-adamantyl]carbamic acid.

Molecular Properties

Compound Name[(1S,3R)-5-(aminomethyl)-2-adamantyl]carbamic acid
PubChem CID67184000
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name[(1S,3R)-5-(aminomethyl)-2-adamantyl]carbamic acid
SMILESNCC12CC3C[C@H](C1)C(NC(=O)O)[C@@H](C3)C2
InChIInChI=1S/C12H20N2O2/c13-6-12-3-7-1-8(4-12)10(14-11(15)16)9(2-7)5-12/h7-10,14H,1-6,13H2,(H,15,16)/t7?,8-,9+,10?,12?
InChIKeyKUCBHFDPUJWCLV-UFRKCTDVSA-N
XLogP1.41
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-5-(aminomethyl)-2-adamantyl]carbamic acid?
The IUPAC name of [(1S,3R)-5-(aminomethyl)-2-adamantyl]carbamic acid (CID 67184000) is [(1S,3R)-5-(aminomethyl)-2-adamantyl]carbamic acid.
What is the SMILES notation for [(1S,3R)-5-(aminomethyl)-2-adamantyl]carbamic acid?
The canonical SMILES for [(1S,3R)-5-(aminomethyl)-2-adamantyl]carbamic acid is NCC12CC3C[C@H](C1)C(NC(=O)O)[C@@H](C3)C2.
What is the InChIKey of [(1S,3R)-5-(aminomethyl)-2-adamantyl]carbamic acid?
The InChIKey is KUCBHFDPUJWCLV-UFRKCTDVSA-N. The full InChI is InChI=1S/C12H20N2O2/c13-6-12-3-7-1-8(4-12)10(14-11(15)16)9(2-7)5-12/h7-10,14H,1-6,13H2,(H,15,16)/t7?,8-,9+,10?,12?.
What are the key properties of [(1S,3R)-5-(aminomethyl)-2-adamantyl]carbamic acid?
[(1S,3R)-5-(aminomethyl)-2-adamantyl]carbamic acid has a molecular weight of 224.30 g/mol, XLogP of 1.41, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-5-(aminomethyl)-2-adamantyl]carbamic acid is sourced from PubChem (CID 67184000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).