2-[(5R,7R)-3-amino-1-adamantyl]acetic acid

C12H19NO2 — CID 6939156

IUPAC2-[(5R,7R)-3-amino-1-adamantyl]acetic acid
SMILESNC12C[C@@H]3C[C@@H](C1)CC(CC(=O)O)(C3)C2
InChIInChI=1S/C12H19NO2/c13-12-4-8-1-9(5-12)3-11(2-8,7-12)6-10(14)15/h8-9H,1-7,13H2,(H,14,15)/t8-,9-,11?,12?/m1/s1
InChIKeyYNPWECOFXFMAHU-WWAQEKKBSA-N
MW209.29 g/mol
LogP1.76
Rot. Bonds2

About 2-[(5R,7R)-3-amino-1-adamantyl]acetic acid

2-[(5R,7R)-3-amino-1-adamantyl]acetic acid (PubChem CID 6939156) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[(5R,7R)-3-amino-1-adamantyl]acetic acid.

Molecular Properties

Compound Name2-[(5R,7R)-3-amino-1-adamantyl]acetic acid
PubChem CID6939156
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-[(5R,7R)-3-amino-1-adamantyl]acetic acid
SMILESNC12C[C@@H]3C[C@@H](C1)CC(CC(=O)O)(C3)C2
InChIInChI=1S/C12H19NO2/c13-12-4-8-1-9(5-12)3-11(2-8,7-12)6-10(14)15/h8-9H,1-7,13H2,(H,14,15)/t8-,9-,11?,12?/m1/s1
InChIKeyYNPWECOFXFMAHU-WWAQEKKBSA-N
XLogP1.76
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-amino-5-(carboxymethyl)-1-adamantyl]acetic acid
CID 46865925
2-(3-ethyl-1-adamantyl)acetic acid
CID 3855143
(5S,7R)-3-(aminomethyl)adamantan-1-amine
CID 818515
2-(3-nitrooxy-1-adamantyl)acetic acid
CID 3542998
2-(1-adamantyl)acetic acid;2-(1-adamantyl)acetyl chloride
CID 160909108
(5S,7R)-3-(2-fluoroethyl)adamantan-1-amine;hydrochloride
CID 170907857
3-[(1S,5R)-3-amino-5-(2-carboxyethyl)-1-adamantyl]propanoic acid;hydrochloride
CID 72702350
3-aminoadamantane-1-carboxamide
CID 67083536
2-(2-amino-2-adamantyl)acetic acid
CID 71709485
2-(3,5-dimethyl-1-adamantyl)acetic acid
CID 4067589
(5S,7S)-3-[(5S,7S)-3-amino-1-adamantyl]adamantan-1-amine
CID 56845538
methyl (5R,7R)-3-aminoadamantane-1-carboxylate
CID 23309146

Frequently Asked Questions

What is the IUPAC name of 2-[(5R,7R)-3-amino-1-adamantyl]acetic acid?
The IUPAC name of 2-[(5R,7R)-3-amino-1-adamantyl]acetic acid (CID 6939156) is 2-[(5R,7R)-3-amino-1-adamantyl]acetic acid.
What is the SMILES notation for 2-[(5R,7R)-3-amino-1-adamantyl]acetic acid?
The canonical SMILES for 2-[(5R,7R)-3-amino-1-adamantyl]acetic acid is NC12C[C@@H]3C[C@@H](C1)CC(CC(=O)O)(C3)C2.
What is the InChIKey of 2-[(5R,7R)-3-amino-1-adamantyl]acetic acid?
The InChIKey is YNPWECOFXFMAHU-WWAQEKKBSA-N. The full InChI is InChI=1S/C12H19NO2/c13-12-4-8-1-9(5-12)3-11(2-8,7-12)6-10(14)15/h8-9H,1-7,13H2,(H,14,15)/t8-,9-,11?,12?/m1/s1.
What are the key properties of 2-[(5R,7R)-3-amino-1-adamantyl]acetic acid?
2-[(5R,7R)-3-amino-1-adamantyl]acetic acid has a molecular weight of 209.29 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R,7R)-3-amino-1-adamantyl]acetic acid is sourced from PubChem (CID 6939156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).