4-formamidoadamantane-1-carboxylic acid

C12H17NO3 — CID 87081591

IUPAC4-formamidoadamantane-1-carboxylic acid
SMILESO=CNC1C2CC3CC1CC(C(=O)O)(C3)C2
InChIInChI=1S/C12H17NO3/c14-6-13-10-8-1-7-2-9(10)5-12(3-7,4-8)11(15)16/h6-10H,1-5H2,(H,13,14)(H,15,16)
InChIKeyRMRNZVKGXORPRH-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.01
Rot. Bonds3

About 4-formamidoadamantane-1-carboxylic acid

4-formamidoadamantane-1-carboxylic acid (PubChem CID 87081591) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 4-formamidoadamantane-1-carboxylic acid.

Molecular Properties

Compound Name4-formamidoadamantane-1-carboxylic acid
PubChem CID87081591
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name4-formamidoadamantane-1-carboxylic acid
SMILESO=CNC1C2CC3CC1CC(C(=O)O)(C3)C2
InChIInChI=1S/C12H17NO3/c14-6-13-10-8-1-7-2-9(10)5-12(3-7,4-8)11(15)16/h6-10H,1-5H2,(H,13,14)(H,15,16)
InChIKeyRMRNZVKGXORPRH-UHFFFAOYSA-N
XLogP1.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-methoxyadamantane-1-carboxylic acid
CID 12598764
4-aminoadamantane-1-carboxylic acid;hydrochloride
CID 67549103
adamantane-1-carboxylic acid;cobalt
CID 174948331
adamantane-1-carboxylic acid;hydrobromide
CID 175234233
(3S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]adamantane-1-carboxylic acid
CID 66863401
4-isocyanoadamantane-1-carboxylic acid
CID 87472611
acetic acid;adamantane-1-carboxylic acid
CID 67530595
4-aminoadamantane-1-carboxylic acid;4-oxoadamantane-1-carboxylic acid
CID 159203089
(3R,5S)-4-[[1-(4-methylphenyl)cyclopropanecarbonyl]amino]adamantane-1-carboxylic acid
CID 11537663
4-[[2-(4-chlorophenyl)-2-methylpropanoyl]amino]adamantane-1-carboxylic acid
CID 21099695
4-[(2-oxo-2-phenylmethoxyethyl)amino]adamantane-1-carboxylic acid
CID 68512829
4-[[2-methyl-2-(N-methylanilino)propanoyl]amino]adamantane-1-carboxylic acid
CID 66628595

Frequently Asked Questions

What is the IUPAC name of 4-formamidoadamantane-1-carboxylic acid?
The IUPAC name of 4-formamidoadamantane-1-carboxylic acid (CID 87081591) is 4-formamidoadamantane-1-carboxylic acid.
What is the SMILES notation for 4-formamidoadamantane-1-carboxylic acid?
The canonical SMILES for 4-formamidoadamantane-1-carboxylic acid is O=CNC1C2CC3CC1CC(C(=O)O)(C3)C2.
What is the InChIKey of 4-formamidoadamantane-1-carboxylic acid?
The InChIKey is RMRNZVKGXORPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c14-6-13-10-8-1-7-2-9(10)5-12(3-7,4-8)11(15)16/h6-10H,1-5H2,(H,13,14)(H,15,16).
What are the key properties of 4-formamidoadamantane-1-carboxylic acid?
4-formamidoadamantane-1-carboxylic acid has a molecular weight of 223.27 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formamidoadamantane-1-carboxylic acid is sourced from PubChem (CID 87081591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).