(2R)-2-(1-adamantyl)-2-[(2,2-diphenylacetyl)amino]acetic acid

C26H29NO3 — CID 7090694

IUPAC(2R)-2-(1-adamantyl)-2-[(2,2-diphenylacetyl)amino]acetic acid
SMILESO=C(N[C@@H](C(=O)O)C12CC3CC(CC(C3)C1)C2)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H29NO3/c28-24(22(20-7-3-1-4-8-20)21-9-5-2-6-10-21)27-23(25(29)30)26-14-17-11-18(15-26)13-19(12-17)16-26/h1-10,17-19,22-23H,11-16H2,(H,27,28)(H,29,30)/t17?,18?,19?,23-,26?/m0/s1
InChIKeyOTCJPZJTUKWAFA-MHLWUJJFSA-N
MW403.52 g/mol
LogP4.60
Rot. Bonds6

About (2R)-2-(1-adamantyl)-2-[(2,2-diphenylacetyl)amino]acetic acid

(2R)-2-(1-adamantyl)-2-[(2,2-diphenylacetyl)amino]acetic acid (PubChem CID 7090694) has the molecular formula C26H29NO3 and a molecular weight of 403.52 g/mol. Its IUPAC name is (2R)-2-(1-adamantyl)-2-[(2,2-diphenylacetyl)amino]acetic acid.

Molecular Properties

Compound Name(2R)-2-(1-adamantyl)-2-[(2,2-diphenylacetyl)amino]acetic acid
PubChem CID7090694
Molecular FormulaC26H29NO3
Molecular Weight403.52 g/mol
Exact Mass403.21
IUPAC Name(2R)-2-(1-adamantyl)-2-[(2,2-diphenylacetyl)amino]acetic acid
SMILESO=C(N[C@@H](C(=O)O)C12CC3CC(CC(C3)C1)C2)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H29NO3/c28-24(22(20-7-3-1-4-8-20)21-9-5-2-6-10-21)27-23(25(29)30)26-14-17-11-18(15-26)13-19(12-17)16-26/h1-10,17-19,22-23H,11-16H2,(H,27,28)(H,29,30)/t17?,18?,19?,23-,26?/m0/s1
InChIKeyOTCJPZJTUKWAFA-MHLWUJJFSA-N
XLogP4.60
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-adamantyl)-2-benzamidoacetic acid
CID 2835966
(2S)-2-(1-adamantyl)-2-[(2-fluorobenzoyl)amino]acetic acid
CID 7123972
(2S)-2-(1-adamantyl)-2-(thiophene-2-carbonylamino)acetic acid
CID 7065356
(2S)-2-acetamido-2-(1-adamantyl)acetic acid
CID 11253749
N-[2-(1-adamantyl)ethyl]-2,2-diphenylacetamide
CID 23766189
2,2-diphenyl-N-[(1R,8R)-3-tricyclo[4.3.1.13,8]undecanyl]acetamide
CID 98158809
2-(1-adamantyl)-2-[(4-fluorobenzoyl)amino]acetic acid
CID 2834333
2-(1-adamantyl)-2-(methylamino)acetic acid
CID 11229817
N-[2-(1-adamantyloxy)propyl]-2,2-diphenylacetamide
CID 4916655
(2R)-N-[(1R)-1-(1-adamantyl)ethyl]-2-phenylpentanamide
CID 7929301
N-[(1R)-1-cyclopropylethyl]-2,2-diphenylacetamide
CID 8855432
N-[(1S)-2-hydroxy-1-phenylethyl]adamantane-1-carboxamide
CID 110001874

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-adamantyl)-2-[(2,2-diphenylacetyl)amino]acetic acid?
The IUPAC name of (2R)-2-(1-adamantyl)-2-[(2,2-diphenylacetyl)amino]acetic acid (CID 7090694) is (2R)-2-(1-adamantyl)-2-[(2,2-diphenylacetyl)amino]acetic acid.
What is the SMILES notation for (2R)-2-(1-adamantyl)-2-[(2,2-diphenylacetyl)amino]acetic acid?
The canonical SMILES for (2R)-2-(1-adamantyl)-2-[(2,2-diphenylacetyl)amino]acetic acid is O=C(N[C@@H](C(=O)O)C12CC3CC(CC(C3)C1)C2)C(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-2-(1-adamantyl)-2-[(2,2-diphenylacetyl)amino]acetic acid?
The InChIKey is OTCJPZJTUKWAFA-MHLWUJJFSA-N. The full InChI is InChI=1S/C26H29NO3/c28-24(22(20-7-3-1-4-8-20)21-9-5-2-6-10-21)27-23(25(29)30)26-14-17-11-18(15-26)13-19(12-17)16-26/h1-10,17-19,22-23H,11-16H2,(H,27,28)(H,29,30)/t17?,18?,19?,23-,26?/m0/s1.
What are the key properties of (2R)-2-(1-adamantyl)-2-[(2,2-diphenylacetyl)amino]acetic acid?
(2R)-2-(1-adamantyl)-2-[(2,2-diphenylacetyl)amino]acetic acid has a molecular weight of 403.52 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-adamantyl)-2-[(2,2-diphenylacetyl)amino]acetic acid is sourced from PubChem (CID 7090694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).