2-(1-adamantyl)-2-benzamidoacetic acid

C19H23NO3 — CID 2835966

IUPAC2-(1-adamantyl)-2-benzamidoacetic acid
SMILESO=C(NC(C(=O)O)C12CC3CC(CC(C3)C1)C2)c1ccccc1
InChIInChI=1S/C19H23NO3/c21-17(15-4-2-1-3-5-15)20-16(18(22)23)19-9-12-6-13(10-19)8-14(7-12)11-19/h1-5,12-14,16H,6-11H2,(H,20,21)(H,22,23)
InChIKeyUAJACJNUWFYSDF-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.09
Rot. Bonds4

About 2-(1-adamantyl)-2-benzamidoacetic acid

2-(1-adamantyl)-2-benzamidoacetic acid (PubChem CID 2835966) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-(1-adamantyl)-2-benzamidoacetic acid.

Molecular Properties

Compound Name2-(1-adamantyl)-2-benzamidoacetic acid
PubChem CID2835966
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name2-(1-adamantyl)-2-benzamidoacetic acid
SMILESO=C(NC(C(=O)O)C12CC3CC(CC(C3)C1)C2)c1ccccc1
InChIInChI=1S/C19H23NO3/c21-17(15-4-2-1-3-5-15)20-16(18(22)23)19-9-12-6-13(10-19)8-14(7-12)11-19/h1-5,12-14,16H,6-11H2,(H,20,21)(H,22,23)
InChIKeyUAJACJNUWFYSDF-UHFFFAOYSA-N
XLogP3.09
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-adamantyl)-2-[(4-fluorobenzoyl)amino]acetic acid
CID 2834333
(2S)-2-(1-adamantyl)-2-[(2-fluorobenzoyl)amino]acetic acid
CID 7123972
N-[(1R)-1-(1-adamantyl)-2-morpholin-4-yl-2-oxoethyl]benzamide
CID 7345351
(2S)-2-(1-adamantyl)-2-(thiophene-2-carbonylamino)acetic acid
CID 7065356
(2R)-2-(1-adamantyl)-2-[(2,2-diphenylacetyl)amino]acetic acid
CID 7090694
N-[(1R)-1-(1-adamantyl)-2-(4-methoxyanilino)-2-oxoethyl]benzamide
CID 7482121
(2R)-2-(1-adamantyl)-2-[[4-(diethylsulfamoyl)benzoyl]amino]acetic acid
CID 7154543
N-[1-(1-adamantyl)-2-(benzylamino)-2-oxoethyl]-4-fluorobenzamide
CID 2882532
N-[(2S)-1-[[(1R)-1-(1-adamantyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 7800864
(2S)-2-acetamido-2-(1-adamantyl)acetic acid
CID 11253749
methyl (2S)-2-(1-adamantyl)-2-[(4-methylbenzoyl)amino]acetate
CID 7079957
methyl 2-(1-adamantyl)-2-[(3-chlorobenzoyl)amino]acetate
CID 2882583

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-2-benzamidoacetic acid?
The IUPAC name of 2-(1-adamantyl)-2-benzamidoacetic acid (CID 2835966) is 2-(1-adamantyl)-2-benzamidoacetic acid.
What is the SMILES notation for 2-(1-adamantyl)-2-benzamidoacetic acid?
The canonical SMILES for 2-(1-adamantyl)-2-benzamidoacetic acid is O=C(NC(C(=O)O)C12CC3CC(CC(C3)C1)C2)c1ccccc1.
What is the InChIKey of 2-(1-adamantyl)-2-benzamidoacetic acid?
The InChIKey is UAJACJNUWFYSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c21-17(15-4-2-1-3-5-15)20-16(18(22)23)19-9-12-6-13(10-19)8-14(7-12)11-19/h1-5,12-14,16H,6-11H2,(H,20,21)(H,22,23).
What are the key properties of 2-(1-adamantyl)-2-benzamidoacetic acid?
2-(1-adamantyl)-2-benzamidoacetic acid has a molecular weight of 313.40 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-2-benzamidoacetic acid is sourced from PubChem (CID 2835966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).