2-acetamidoadamantane-2-carboxylic acid

C13H19NO3 — CID 15322577

IUPAC2-acetamidoadamantane-2-carboxylic acid
SMILESCC(=O)NC1(C(=O)O)C2CC3CC(C2)CC1C3
InChIInChI=1S/C13H19NO3/c1-7(15)14-13(12(16)17)10-3-8-2-9(5-10)6-11(13)4-8/h8-11H,2-6H2,1H3,(H,14,15)(H,16,17)
InChIKeyKAEHDJZIVRCNSO-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.40
Rot. Bonds2

About 2-acetamidoadamantane-2-carboxylic acid

2-acetamidoadamantane-2-carboxylic acid (PubChem CID 15322577) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-acetamidoadamantane-2-carboxylic acid.

Molecular Properties

Compound Name2-acetamidoadamantane-2-carboxylic acid
PubChem CID15322577
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-acetamidoadamantane-2-carboxylic acid
SMILESCC(=O)NC1(C(=O)O)C2CC3CC(C2)CC1C3
InChIInChI=1S/C13H19NO3/c1-7(15)14-13(12(16)17)10-3-8-2-9(5-10)6-11(13)4-8/h8-11H,2-6H2,1H3,(H,14,15)(H,16,17)
InChIKeyKAEHDJZIVRCNSO-UHFFFAOYSA-N
XLogP1.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylamino)adamantane-2-carboxylic acid
CID 62778949
N-[2-(aminomethyl)-2-adamantyl]acetamide
CID 154304517
trimethylsilyl 2-(trimethylsilylamino)adamantane-2-carboxylate
CID 19421019
2-(cyclopropylamino)adamantane-2-carboxamide
CID 62778788
(1S,2R,3S,5R,6S)-2-acetamido-3-deuterio-3-hydroxybicyclo[3.1.0]hexane-2,6-dicarboxylic acid
CID 57280357
2-ethyladamantane-2-carboxylic acid
CID 18547676
N-(3-acetamido-1-adamantyl)acetamide
CID 2817797
2-(isoquinoline-5-carbonylamino)adamantane-2-carboxylic acid
CID 167824202
ethyl 2-(cyclopropylamino)adamantane-2-carboxylate
CID 62780818
ethyl 2-(methylamino)adamantane-2-carboxylate
CID 62778952
chloro (2-methyl-2-adamantyl) carbonate
CID 166021529
2-(2-amino-2-adamantyl)acetic acid
CID 71709485

Frequently Asked Questions

What is the IUPAC name of 2-acetamidoadamantane-2-carboxylic acid?
The IUPAC name of 2-acetamidoadamantane-2-carboxylic acid (CID 15322577) is 2-acetamidoadamantane-2-carboxylic acid.
What is the SMILES notation for 2-acetamidoadamantane-2-carboxylic acid?
The canonical SMILES for 2-acetamidoadamantane-2-carboxylic acid is CC(=O)NC1(C(=O)O)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-acetamidoadamantane-2-carboxylic acid?
The InChIKey is KAEHDJZIVRCNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-7(15)14-13(12(16)17)10-3-8-2-9(5-10)6-11(13)4-8/h8-11H,2-6H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-acetamidoadamantane-2-carboxylic acid?
2-acetamidoadamantane-2-carboxylic acid has a molecular weight of 237.30 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamidoadamantane-2-carboxylic acid is sourced from PubChem (CID 15322577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).