3-amino-2-methyladamantane-1-carboxylic acid

C12H19NO2 — CID 70565054

IUPAC3-amino-2-methyladamantane-1-carboxylic acid
SMILESCC1C2(N)CC3CC(C2)CC1(C(=O)O)C3
InChIInChI=1S/C12H19NO2/c1-7-11(10(14)15)3-8-2-9(4-11)6-12(7,13)5-8/h7-9H,2-6,13H2,1H3,(H,14,15)
InChIKeyCIDCRAOOIYQVAC-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.61
Rot. Bonds1

About 3-amino-2-methyladamantane-1-carboxylic acid

3-amino-2-methyladamantane-1-carboxylic acid (PubChem CID 70565054) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-amino-2-methyladamantane-1-carboxylic acid.

Molecular Properties

Compound Name3-amino-2-methyladamantane-1-carboxylic acid
PubChem CID70565054
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name3-amino-2-methyladamantane-1-carboxylic acid
SMILESCC1C2(N)CC3CC(C2)CC1(C(=O)O)C3
InChIInChI=1S/C12H19NO2/c1-7-11(10(14)15)3-8-2-9(4-11)6-12(7,13)5-8/h7-9H,2-6,13H2,1H3,(H,14,15)
InChIKeyCIDCRAOOIYQVAC-UHFFFAOYSA-N
XLogP1.61
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-aminotricyclo[4.3.1.13,8]undecane-4-carboxylic acid
CID 23009313
3-amino-2,6-dimethylbicyclo[2.2.1]heptane-1,3-dicarboxylic acid
CID 23439370
4-aminocyclopentane-1,2,4-tricarboxylic acid
CID 4302961
(2R,7S)-2-chloroadamantane-1-carboxylic acid
CID 130898184
2-methyladamantane-1-carboxamide
CID 18421545
acetic acid;adamantan-1-amine;azane;platinum;dichloride
CID 162064090
[4-[(2,3-dimethyladamantane-1-carbonyl)oxymethyl]cyclohexyl]methyl 2,3-dimethyladamantane-1-carboxylate
CID 90206118
1-carbamoyladamantane-2-carboxylic acid
CID 90958779
1-amino-3,3-difluoro-2-methylcyclobutane-1-carboxylic acid
CID 175481331
bicyclo[3.1.1]heptane-3,3-dicarboxylic acid
CID 71366048
acetic acid;adamantane-1-carboxylic acid
CID 67530595
3-aminoadamantane-1-carboxamide
CID 67083536

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyladamantane-1-carboxylic acid?
The IUPAC name of 3-amino-2-methyladamantane-1-carboxylic acid (CID 70565054) is 3-amino-2-methyladamantane-1-carboxylic acid.
What is the SMILES notation for 3-amino-2-methyladamantane-1-carboxylic acid?
The canonical SMILES for 3-amino-2-methyladamantane-1-carboxylic acid is CC1C2(N)CC3CC(C2)CC1(C(=O)O)C3.
What is the InChIKey of 3-amino-2-methyladamantane-1-carboxylic acid?
The InChIKey is CIDCRAOOIYQVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-7-11(10(14)15)3-8-2-9(4-11)6-12(7,13)5-8/h7-9H,2-6,13H2,1H3,(H,14,15).
What are the key properties of 3-amino-2-methyladamantane-1-carboxylic acid?
3-amino-2-methyladamantane-1-carboxylic acid has a molecular weight of 209.29 g/mol, XLogP of 1.61, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyladamantane-1-carboxylic acid is sourced from PubChem (CID 70565054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).