2-[1-adamantyl(hydroxy)amino]acetic acid

C12H19NO3 — CID 87257505

IUPAC2-[1-adamantyl(hydroxy)amino]acetic acid
SMILESO=C(O)CN(O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H19NO3/c14-11(15)7-13(16)12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10,16H,1-7H2,(H,14,15)
InChIKeyHCSJPVAYQURCCX-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.73
Rot. Bonds3

About 2-[1-adamantyl(hydroxy)amino]acetic acid

2-[1-adamantyl(hydroxy)amino]acetic acid (PubChem CID 87257505) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[1-adamantyl(hydroxy)amino]acetic acid.

Molecular Properties

Compound Name2-[1-adamantyl(hydroxy)amino]acetic acid
PubChem CID87257505
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-[1-adamantyl(hydroxy)amino]acetic acid
SMILESO=C(O)CN(O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H19NO3/c14-11(15)7-13(16)12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10,16H,1-7H2,(H,14,15)
InChIKeyHCSJPVAYQURCCX-UHFFFAOYSA-N
XLogP1.73
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(1-adamantyl)acetyl]-methylamino]acetic acid
CID 43169963
2-[1-adamantylmethyl(propyl)amino]acetic acid
CID 54899206
2-(1-adamantyl)acetic acid;2-(1-adamantyl)acetyl chloride
CID 160909108
2-[(3-hydroxy-1-adamantyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 66832283
2-[1-(1-adamantyl)ethyl-(2-methylpropyl)amino]acetic acid
CID 65065266
2-[adamantane-1-carbonyloxymethoxycarbonyl(tert-butyl)amino]acetic acid
CID 66674886
1,3-dimethyladamantane;2-[ethyl(methyl)amino]acetic acid
CID 23009779
2-methylbutan-2-yl N-(1-adamantyl)-N-(2-methylbutan-2-yloxycarbonyl)carbamate
CID 67186562
N-(1-adamantyl)-N-fluoroacetamide
CID 154140531
3-[1-adamantyl-(2-methoxyacetyl)amino]propanoic acid
CID 82325701
1-adamantylmethanol;hydrochloride
CID 141053946
bicyclo[3.1.1]heptane-3,3-dicarboxylic acid
CID 71366048

Frequently Asked Questions

What is the IUPAC name of 2-[1-adamantyl(hydroxy)amino]acetic acid?
The IUPAC name of 2-[1-adamantyl(hydroxy)amino]acetic acid (CID 87257505) is 2-[1-adamantyl(hydroxy)amino]acetic acid.
What is the SMILES notation for 2-[1-adamantyl(hydroxy)amino]acetic acid?
The canonical SMILES for 2-[1-adamantyl(hydroxy)amino]acetic acid is O=C(O)CN(O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-[1-adamantyl(hydroxy)amino]acetic acid?
The InChIKey is HCSJPVAYQURCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c14-11(15)7-13(16)12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10,16H,1-7H2,(H,14,15).
What are the key properties of 2-[1-adamantyl(hydroxy)amino]acetic acid?
2-[1-adamantyl(hydroxy)amino]acetic acid has a molecular weight of 225.29 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-adamantyl(hydroxy)amino]acetic acid is sourced from PubChem (CID 87257505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).