(2R)-4-methoxy-2-(tritylamino)butanoic acid

C24H25NO3 — CID 51341708

IUPAC(2R)-4-methoxy-2-(tritylamino)butanoic acid
SMILESCOCC[C@@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C24H25NO3/c1-28-18-17-22(23(26)27)25-24(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,22,25H,17-18H2,1H3,(H,26,27)/t22-/m1/s1
InChIKeyDLEJPBOUWYFFOO-JOCHJYFZSA-N
MW375.47 g/mol
LogP4.06
Rot. Bonds9

About (2R)-4-methoxy-2-(tritylamino)butanoic acid

(2R)-4-methoxy-2-(tritylamino)butanoic acid (PubChem CID 51341708) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is (2R)-4-methoxy-2-(tritylamino)butanoic acid.

Molecular Properties

Compound Name(2R)-4-methoxy-2-(tritylamino)butanoic acid
PubChem CID51341708
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC Name(2R)-4-methoxy-2-(tritylamino)butanoic acid
SMILESCOCC[C@@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C24H25NO3/c1-28-18-17-22(23(26)27)25-24(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,22,25H,17-18H2,1H3,(H,26,27)/t22-/m1/s1
InChIKeyDLEJPBOUWYFFOO-JOCHJYFZSA-N
XLogP4.06
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(tritylamino)pentanoic acid
CID 70010724
4-methoxy-2-[(4-methyl-4-phenylpentanoyl)amino]butanoic acid
CID 120703228
N-ethylethanamine;(2R)-3-methylsulfanyl-2-(tritylamino)propanoic acid
CID 90477349
2-[(4-tert-butylbenzoyl)amino]-4-methoxybutanoic acid
CID 62478568
(2S,4S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-(tritylamino)pentanedioic acid
CID 70941521
[5-methoxy-2,5-dioxo-4-(tritylamino)pentyl]phosphonic acid
CID 23187092
2-[(2-iodobenzoyl)amino]-4-methoxybutanoic acid
CID 55076619
(2S,4S)-7-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-(tritylamino)heptanoic acid
CID 71002744
4-methoxy-2-(2-phenylbutanoylamino)butanoic acid
CID 62478750
2-[(3-amino-3-phenylpropanoyl)amino]-4-methoxybutanoic acid
CID 62478473
(2S)-2-(tritylamino)-3-(4-trityloxyphenyl)propanoic acid
CID 15725604
diethyl (2S)-2-(tritylamino)butanedioate
CID 140997508

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methoxy-2-(tritylamino)butanoic acid?
The IUPAC name of (2R)-4-methoxy-2-(tritylamino)butanoic acid (CID 51341708) is (2R)-4-methoxy-2-(tritylamino)butanoic acid.
What is the SMILES notation for (2R)-4-methoxy-2-(tritylamino)butanoic acid?
The canonical SMILES for (2R)-4-methoxy-2-(tritylamino)butanoic acid is COCC[C@@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O.
What is the InChIKey of (2R)-4-methoxy-2-(tritylamino)butanoic acid?
The InChIKey is DLEJPBOUWYFFOO-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H25NO3/c1-28-18-17-22(23(26)27)25-24(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,22,25H,17-18H2,1H3,(H,26,27)/t22-/m1/s1.
What are the key properties of (2R)-4-methoxy-2-(tritylamino)butanoic acid?
(2R)-4-methoxy-2-(tritylamino)butanoic acid has a molecular weight of 375.47 g/mol, XLogP of 4.06, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methoxy-2-(tritylamino)butanoic acid is sourced from PubChem (CID 51341708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).