2-(1-adamantyl)-2-(methylamino)acetic acid

C13H21NO2 — CID 11229817

IUPAC2-(1-adamantyl)-2-(methylamino)acetic acid
SMILESCNC(C(=O)O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H21NO2/c1-14-11(12(15)16)13-5-8-2-9(6-13)4-10(3-8)7-13/h8-11,14H,2-7H2,1H3,(H,15,16)
InChIKeyGAWUCMYQMSHATA-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.88
Rot. Bonds3

About 2-(1-adamantyl)-2-(methylamino)acetic acid

2-(1-adamantyl)-2-(methylamino)acetic acid (PubChem CID 11229817) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(1-adamantyl)-2-(methylamino)acetic acid.

Molecular Properties

Compound Name2-(1-adamantyl)-2-(methylamino)acetic acid
PubChem CID11229817
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-(1-adamantyl)-2-(methylamino)acetic acid
SMILESCNC(C(=O)O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H21NO2/c1-14-11(12(15)16)13-5-8-2-9(6-13)4-10(3-8)7-13/h8-11,14H,2-7H2,1H3,(H,15,16)
InChIKeyGAWUCMYQMSHATA-UHFFFAOYSA-N
XLogP1.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-acetamido-2-(1-adamantyl)acetic acid
CID 11253749
(2S)-2-(1-adamantyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 11738405
1-[(2R)-2-(1-adamantyl)-2-(methylamino)acetyl]oxyethyl 2-methylpropanoate
CID 171426107
2-(1-adamantyl)propanedioic acid;methane
CID 158035094
2-(1-adamantyl)-2-benzamidoacetic acid
CID 2835966
(2S)-2-(1-adamantyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]acetic acid
CID 7063115
2-[1-(1-adamantyl)ethylamino]propanoic acid
CID 54959577
2-(1-adamantyl)-2-bromoacetic acid
CID 2769715
4-(1-adamantylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 22090292
(2R)-2-(1-adamantyl)-2-[(2,2-diphenylacetyl)amino]acetic acid
CID 7090694
(2R)-2-[[(1R)-1-(1-adamantyl)ethyl]amino]-N-methylpropanamide
CID 9372884
2-[1-(1-adamantyl)ethylcarbamoylamino]propanoic acid
CID 61182192

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-2-(methylamino)acetic acid?
The IUPAC name of 2-(1-adamantyl)-2-(methylamino)acetic acid (CID 11229817) is 2-(1-adamantyl)-2-(methylamino)acetic acid.
What is the SMILES notation for 2-(1-adamantyl)-2-(methylamino)acetic acid?
The canonical SMILES for 2-(1-adamantyl)-2-(methylamino)acetic acid is CNC(C(=O)O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-2-(methylamino)acetic acid?
The InChIKey is GAWUCMYQMSHATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-14-11(12(15)16)13-5-8-2-9(6-13)4-10(3-8)7-13/h8-11,14H,2-7H2,1H3,(H,15,16).
What are the key properties of 2-(1-adamantyl)-2-(methylamino)acetic acid?
2-(1-adamantyl)-2-(methylamino)acetic acid has a molecular weight of 223.32 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-2-(methylamino)acetic acid is sourced from PubChem (CID 11229817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).