(2R)-3-methyl-2-(tritylamino)butanoic acid

C24H25NO2 — CID 40522874

IUPAC(2R)-3-methyl-2-(tritylamino)butanoic acid
SMILESCC(C)[C@@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C24H25NO2/c1-18(2)22(23(26)27)25-24(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18,22,25H,1-2H3,(H,26,27)/t22-/m1/s1
InChIKeyRULPGAAHRDHJOK-JOCHJYFZSA-N
MW359.47 g/mol
LogP4.68
Rot. Bonds7

About (2R)-3-methyl-2-(tritylamino)butanoic acid

(2R)-3-methyl-2-(tritylamino)butanoic acid (PubChem CID 40522874) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is (2R)-3-methyl-2-(tritylamino)butanoic acid.

Molecular Properties

Compound Name(2R)-3-methyl-2-(tritylamino)butanoic acid
PubChem CID40522874
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC Name(2R)-3-methyl-2-(tritylamino)butanoic acid
SMILESCC(C)[C@@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C24H25NO2/c1-18(2)22(23(26)27)25-24(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18,22,25H,1-2H3,(H,26,27)/t22-/m1/s1
InChIKeyRULPGAAHRDHJOK-JOCHJYFZSA-N
XLogP4.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(2R,3S)-2-[[bis(4-methoxyphenyl)-phenylmethyl]amino]-3-hydroxybutanoic acid
CID 175799050
methyl (3S)-3-hydroxy-2-(tritylamino)butanoate
CID 59698250
(2S)-3-oxo-2-(tritylamino)butanoic acid
CID 67931409
(2R)-2-[(2,2-difluoro-2-phenylacetyl)amino]-3-methylbutanoic acid
CID 119369647
2-acetamido-2-(tritylamino)acetic acid
CID 57262896
3-methyl-2-(2-phenylpropan-2-ylcarbamoylamino)butanoic acid
CID 110490526
1-(tritylamino)ethylphosphonic acid
CID 150279074
(2S)-3-methyl-2-(tritylamino)butanal
CID 139696692
2-(tritylamino)pentanoic acid
CID 70010724
diethylazanium;(2S,3R)-3-hydroxy-2-(tritylamino)butanoate
CID 71741751
(2S)-2-anilino-3-methylbutanoic acid;hydrochloride
CID 70534488
(2S)-2-(tritylamino)propanal
CID 11723234

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-(tritylamino)butanoic acid?
The IUPAC name of (2R)-3-methyl-2-(tritylamino)butanoic acid (CID 40522874) is (2R)-3-methyl-2-(tritylamino)butanoic acid.
What is the SMILES notation for (2R)-3-methyl-2-(tritylamino)butanoic acid?
The canonical SMILES for (2R)-3-methyl-2-(tritylamino)butanoic acid is CC(C)[C@@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O.
What is the InChIKey of (2R)-3-methyl-2-(tritylamino)butanoic acid?
The InChIKey is RULPGAAHRDHJOK-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H25NO2/c1-18(2)22(23(26)27)25-24(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18,22,25H,1-2H3,(H,26,27)/t22-/m1/s1.
What are the key properties of (2R)-3-methyl-2-(tritylamino)butanoic acid?
(2R)-3-methyl-2-(tritylamino)butanoic acid has a molecular weight of 359.47 g/mol, XLogP of 4.68, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-(tritylamino)butanoic acid is sourced from PubChem (CID 40522874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).