2-aminoacetic acid;4,4-dimethoxy-2-trityloxybutanamide

C27H32N2O6 — CID 174730220

IUPAC2-aminoacetic acid;4,4-dimethoxy-2-trityloxybutanamide
SMILESCOC(CC(OC(c1ccccc1)(c1ccccc1)c1ccccc1)C(N)=O)OC.NCC(=O)O
InChIInChI=1S/C25H27NO4.C2H5NO2/c1-28-23(29-2)18-22(24(26)27)30-25(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;3-1-2(4)5/h3-17,22-23H,18H2,1-2H3,(H2,26,27);1,3H2,(H,4,5)
InChIKeyUYAIWRQOEDNBJR-UHFFFAOYSA-N
MW480.56 g/mol
LogP2.89
Rot. Bonds11

About 2-aminoacetic acid;4,4-dimethoxy-2-trityloxybutanamide

2-aminoacetic acid;4,4-dimethoxy-2-trityloxybutanamide (PubChem CID 174730220) has the molecular formula C27H32N2O6 and a molecular weight of 480.56 g/mol. Its IUPAC name is 2-aminoacetic acid;4,4-dimethoxy-2-trityloxybutanamide.

Molecular Properties

Compound Name2-aminoacetic acid;4,4-dimethoxy-2-trityloxybutanamide
PubChem CID174730220
Molecular FormulaC27H32N2O6
Molecular Weight480.56 g/mol
Exact Mass480.23
IUPAC Name2-aminoacetic acid;4,4-dimethoxy-2-trityloxybutanamide
SMILESCOC(CC(OC(c1ccccc1)(c1ccccc1)c1ccccc1)C(N)=O)OC.NCC(=O)O
InChIInChI=1S/C25H27NO4.C2H5NO2/c1-28-23(29-2)18-22(24(26)27)30-25(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;3-1-2(4)5/h3-17,22-23H,18H2,1-2H3,(H2,26,27);1,3H2,(H,4,5)
InChIKeyUYAIWRQOEDNBJR-UHFFFAOYSA-N
XLogP2.89
TPSA134.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.56
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-aminoacetic acid;4-methoxy-2-[(4-methoxyphenyl)-diphenylmethoxy]dodecanamide
CID 131736538
lithium (2S)-3-methoxy-2-trityloxypropanoate
CID 156723269
methyl 2-methoxy-3-trityloxypropanoate
CID 14162189
3-methoxy-2,2-dimethyl-3-trityloxypropanoic acid
CID 141332550
2-[2-(6-hydroxyhexanoyl)hydrazinyl]acetic acid;4-methoxy-2-[(4-methoxyphenyl)-diphenylmethoxy]butanamide
CID 131741574
3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropanamide
CID 91429970
(2S)-2-trityloxypropanal
CID 11834057
1-chloroethyl (2R)-2-trityloxypropanoate
CID 155219631
methyl (2S)-2-hydroxy-3-trityloxypropanoate
CID 11760225
2-(aminomethyl)-3-methyl-3-phenylbutanamide
CID 139627038
2-trityloxypropane-1,3-diol
CID 174565269
ethyl 2,3,3,4,5,5,6,7-octahydroxy-7-trityloxyheptanoate
CID 54562469

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;4,4-dimethoxy-2-trityloxybutanamide?
The IUPAC name of 2-aminoacetic acid;4,4-dimethoxy-2-trityloxybutanamide (CID 174730220) is 2-aminoacetic acid;4,4-dimethoxy-2-trityloxybutanamide.
What is the SMILES notation for 2-aminoacetic acid;4,4-dimethoxy-2-trityloxybutanamide?
The canonical SMILES for 2-aminoacetic acid;4,4-dimethoxy-2-trityloxybutanamide is COC(CC(OC(c1ccccc1)(c1ccccc1)c1ccccc1)C(N)=O)OC.NCC(=O)O.
What is the InChIKey of 2-aminoacetic acid;4,4-dimethoxy-2-trityloxybutanamide?
The InChIKey is UYAIWRQOEDNBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO4.C2H5NO2/c1-28-23(29-2)18-22(24(26)27)30-25(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;3-1-2(4)5/h3-17,22-23H,18H2,1-2H3,(H2,26,27);1,3H2,(H,4,5).
What are the key properties of 2-aminoacetic acid;4,4-dimethoxy-2-trityloxybutanamide?
2-aminoacetic acid;4,4-dimethoxy-2-trityloxybutanamide has a molecular weight of 480.56 g/mol, XLogP of 2.89, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;4,4-dimethoxy-2-trityloxybutanamide is sourced from PubChem (CID 174730220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).