methyl (3S)-3-hydroxy-2-(tritylamino)butanoate

C24H25NO3 — CID 59698250

IUPACmethyl (3S)-3-hydroxy-2-(tritylamino)butanoate
SMILESCOC(=O)C(NC(c1ccccc1)(c1ccccc1)c1ccccc1)[C@H](C)O
InChIInChI=1S/C24H25NO3/c1-18(26)22(23(27)28-2)25-24(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18,22,25-26H,1-2H3/t18-,22?/m0/s1
InChIKeyKXZWRQGFZBZTOO-HXBUSHRASA-N
MW375.47 g/mol
LogP3.49
Rot. Bonds7

About methyl (3S)-3-hydroxy-2-(tritylamino)butanoate

methyl (3S)-3-hydroxy-2-(tritylamino)butanoate (PubChem CID 59698250) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is methyl (3S)-3-hydroxy-2-(tritylamino)butanoate.

Molecular Properties

Compound Namemethyl (3S)-3-hydroxy-2-(tritylamino)butanoate
PubChem CID59698250
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC Namemethyl (3S)-3-hydroxy-2-(tritylamino)butanoate
SMILESCOC(=O)C(NC(c1ccccc1)(c1ccccc1)c1ccccc1)[C@H](C)O
InChIInChI=1S/C24H25NO3/c1-18(26)22(23(27)28-2)25-24(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18,22,25-26H,1-2H3/t18-,22?/m0/s1
InChIKeyKXZWRQGFZBZTOO-HXBUSHRASA-N
XLogP3.49
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (2S,3R)-3-phenylmethoxy-2-(tritylamino)butanoate
CID 67156552
(2R)-3-methyl-2-(tritylamino)butanoic acid
CID 40522874
diethylazanium;(2S,3R)-3-hydroxy-2-(tritylamino)butanoate
CID 71741751
methyl (2R,3S)-2-amino-3-hydroxybutanoate;trimethoxymethylbenzene
CID 91264746
methyl 3-amino-2-hydroxy-3-phenylbutanoate
CID 74334118
methyl 2-[(2-hydroxy-2-phenylpropyl)amino]-3-methylbutanoate
CID 62375494
methyl (2S)-3-octoxy-2-(tritylamino)propanoate
CID 10863686
methyl (2S,3R)-3-hydroxy-2-(3-phenylpropanoylamino)butanoate
CID 102464818
methyl (2S)-4-methyl-2-(2-tritylhydrazinyl)pentanoate
CID 142662042
[5-methoxy-2,5-dioxo-4-(tritylamino)pentyl]phosphonic acid
CID 23187092
methyl (2R,3S)-3-hydroxy-2-[(3-phenylcyclobutyl)amino]butanoate
CID 99834984

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-hydroxy-2-(tritylamino)butanoate?
The IUPAC name of methyl (3S)-3-hydroxy-2-(tritylamino)butanoate (CID 59698250) is methyl (3S)-3-hydroxy-2-(tritylamino)butanoate.
What is the SMILES notation for methyl (3S)-3-hydroxy-2-(tritylamino)butanoate?
The canonical SMILES for methyl (3S)-3-hydroxy-2-(tritylamino)butanoate is COC(=O)C(NC(c1ccccc1)(c1ccccc1)c1ccccc1)[C@H](C)O.
What is the InChIKey of methyl (3S)-3-hydroxy-2-(tritylamino)butanoate?
The InChIKey is KXZWRQGFZBZTOO-HXBUSHRASA-N. The full InChI is InChI=1S/C24H25NO3/c1-18(26)22(23(27)28-2)25-24(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18,22,25-26H,1-2H3/t18-,22?/m0/s1.
What are the key properties of methyl (3S)-3-hydroxy-2-(tritylamino)butanoate?
methyl (3S)-3-hydroxy-2-(tritylamino)butanoate has a molecular weight of 375.47 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-3-hydroxy-2-(tritylamino)butanoate is sourced from PubChem (CID 59698250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).