2-(1-adamantyl)-2-aminoacetic acid;dihydrochloride

C12H21Cl2NO2 — CID 131675912

IUPAC2-(1-adamantyl)-2-aminoacetic acid;dihydrochloride
SMILESCl.Cl.NC(C(=O)O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H19NO2.2ClH/c13-10(11(14)15)12-4-7-1-8(5-12)3-9(2-7)6-12;;/h7-10H,1-6,13H2,(H,14,15);2*1H
InChIKeyBNAWHUSMQMCKNC-UHFFFAOYSA-N
MW282.21 g/mol
LogP2.46
Rot. Bonds2

About 2-(1-adamantyl)-2-aminoacetic acid;dihydrochloride

2-(1-adamantyl)-2-aminoacetic acid;dihydrochloride (PubChem CID 131675912) has the molecular formula C12H21Cl2NO2 and a molecular weight of 282.21 g/mol. Its IUPAC name is 2-(1-adamantyl)-2-aminoacetic acid;dihydrochloride.

Molecular Properties

Compound Name2-(1-adamantyl)-2-aminoacetic acid;dihydrochloride
PubChem CID131675912
Molecular FormulaC12H21Cl2NO2
Molecular Weight282.21 g/mol
Exact Mass281.09
IUPAC Name2-(1-adamantyl)-2-aminoacetic acid;dihydrochloride
SMILESCl.Cl.NC(C(=O)O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H19NO2.2ClH/c13-10(11(14)15)12-4-7-1-8(5-12)3-9(2-7)6-12;;/h7-10H,1-6,13H2,(H,14,15);2*1H
InChIKeyBNAWHUSMQMCKNC-UHFFFAOYSA-N
XLogP2.46
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.21
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-adamantyl)-2-aminoacetic acid;hydrochloride
CID 75301043
2-(1-adamantyl)-3-aminobutanedioic acid
CID 20976630
2-(1-adamantyl)propanedioic acid;methane
CID 158035094
(2S)-2-amino-2-[(3S)-3,5-dihydroxy-1-adamantyl]acetic acid
CID 70881719
ethyl (2R)-2-(1-adamantyl)-2-aminoacetate
CID 124669862
2-(1-adamantyl)-2-bromoacetic acid
CID 2769715
4-(1-adamantyl)-4-aminobutanoic acid;hydrochloride
CID 2941690
(2S)-2-amino-2-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)acetic acid;hydrochloride
CID 16663637
2-(1-adamantyl)but-3-ynoic acid
CID 23219350
2-(1-adamantyl)-2-(methylamino)acetic acid
CID 11229817
2-amino-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetic acid;hydrochloride
CID 135392726
(2S)-2-(1-adamantyl)-2-amino-N-[(1S)-1-cyanoethyl]acetamide
CID 23645892

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-2-aminoacetic acid;dihydrochloride?
The IUPAC name of 2-(1-adamantyl)-2-aminoacetic acid;dihydrochloride (CID 131675912) is 2-(1-adamantyl)-2-aminoacetic acid;dihydrochloride.
What is the SMILES notation for 2-(1-adamantyl)-2-aminoacetic acid;dihydrochloride?
The canonical SMILES for 2-(1-adamantyl)-2-aminoacetic acid;dihydrochloride is Cl.Cl.NC(C(=O)O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-2-aminoacetic acid;dihydrochloride?
The InChIKey is BNAWHUSMQMCKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2.2ClH/c13-10(11(14)15)12-4-7-1-8(5-12)3-9(2-7)6-12;;/h7-10H,1-6,13H2,(H,14,15);2*1H.
What are the key properties of 2-(1-adamantyl)-2-aminoacetic acid;dihydrochloride?
2-(1-adamantyl)-2-aminoacetic acid;dihydrochloride has a molecular weight of 282.21 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-2-aminoacetic acid;dihydrochloride is sourced from PubChem (CID 131675912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).