2-(tritylamino)pentanoic acid

C24H25NO2 — CID 70010724

IUPAC2-(tritylamino)pentanoic acid
SMILESCCCC(NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C24H25NO2/c1-2-12-22(23(26)27)25-24(19-13-6-3-7-14-19,20-15-8-4-9-16-20)21-17-10-5-11-18-21/h3-11,13-18,22,25H,2,12H2,1H3,(H,26,27)
InChIKeyLJDSEJDYIPSZTK-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.82
Rot. Bonds8

About 2-(tritylamino)pentanoic acid

2-(tritylamino)pentanoic acid (PubChem CID 70010724) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-(tritylamino)pentanoic acid.

Molecular Properties

Compound Name2-(tritylamino)pentanoic acid
PubChem CID70010724
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC Name2-(tritylamino)pentanoic acid
SMILESCCCC(NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C24H25NO2/c1-2-12-22(23(26)27)25-24(19-13-6-3-7-14-19,20-15-8-4-9-16-20)21-17-10-5-11-18-21/h3-11,13-18,22,25H,2,12H2,1H3,(H,26,27)
InChIKeyLJDSEJDYIPSZTK-UHFFFAOYSA-N
XLogP4.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.82
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)-4-methoxy-2-(tritylamino)butanoic acid
CID 51341708
N-ethylethanamine;(2R)-3-methylsulfanyl-2-(tritylamino)propanoic acid
CID 90477349
diethyl (2S)-2-(tritylamino)butanedioate
CID 140997508
(2S)-2-anilinopentanoic acid
CID 22847649
ethyl 3-phenoxy-2-(tritylamino)propanoate
CID 22961284
2-(benzhydrylamino)pentanoic acid
CID 65055273
ditert-butyl (2S,4S)-2-butyl-4-(tritylamino)pentanedioate
CID 90367502
(2S)-3-oxo-2-(tritylamino)butanoic acid
CID 67931409
(2R)-3-methyl-2-(tritylamino)butanoic acid
CID 40522874
N-(2-aminoethyl)-4-hydroxy-2-(tritylamino)butanamide
CID 19438547
(2S,4S)-7-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-(tritylamino)heptanoic acid
CID 71002744
(2R)-2-(methylamino)pentanoic acid
CID 15677248

Frequently Asked Questions

What is the IUPAC name of 2-(tritylamino)pentanoic acid?
The IUPAC name of 2-(tritylamino)pentanoic acid (CID 70010724) is 2-(tritylamino)pentanoic acid.
What is the SMILES notation for 2-(tritylamino)pentanoic acid?
The canonical SMILES for 2-(tritylamino)pentanoic acid is CCCC(NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O.
What is the InChIKey of 2-(tritylamino)pentanoic acid?
The InChIKey is LJDSEJDYIPSZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO2/c1-2-12-22(23(26)27)25-24(19-13-6-3-7-14-19,20-15-8-4-9-16-20)21-17-10-5-11-18-21/h3-11,13-18,22,25H,2,12H2,1H3,(H,26,27).
What are the key properties of 2-(tritylamino)pentanoic acid?
2-(tritylamino)pentanoic acid has a molecular weight of 359.47 g/mol, XLogP of 4.82, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tritylamino)pentanoic acid is sourced from PubChem (CID 70010724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).