2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3,3-diphenylpropanoic acid

C21H25NO4 — CID 18352705

IUPAC2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3,3-diphenylpropanoic acid
SMILESCN(C(=O)OC(C)(C)C)C(C(=O)O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25NO4/c1-21(2,3)26-20(25)22(4)18(19(23)24)17(15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14,17-18H,1-4H3,(H,23,24)
InChIKeyGDVYLFRTMJMJFY-UHFFFAOYSA-N
MW355.43 g/mol
LogP4.14
Rot. Bonds5

About 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3,3-diphenylpropanoic acid

2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3,3-diphenylpropanoic acid (PubChem CID 18352705) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3,3-diphenylpropanoic acid.

Molecular Properties

Compound Name2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3,3-diphenylpropanoic acid
PubChem CID18352705
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3,3-diphenylpropanoic acid
SMILESCN(C(=O)OC(C)(C)C)C(C(=O)O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25NO4/c1-21(2,3)26-20(25)22(4)18(19(23)24)17(15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14,17-18H,1-4H3,(H,23,24)
InChIKeyGDVYLFRTMJMJFY-UHFFFAOYSA-N
XLogP4.14
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenylmethoxybutanoic acid
CID 4623807
(2S,3S)-3-hydroxy-3-(4-iodophenyl)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 10982710
2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylacetic acid
CID 172791429
(3R)-3-hydroxy-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
CID 166707254
tert-butyl N-(1-hydroxy-2,2-diphenylpropyl)-N-methylcarbamate
CID 67725390
benzyl (2S)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
CID 122715456
2-(3-bromophenyl)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 59825102
tert-butyl N-methyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]carbamate
CID 57362257
tert-butyl N-(2-amino-2-phenylethyl)-N-methylcarbamate
CID 67066123
(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[4-[2-(phenylmethoxyamino)ethyl]phenyl]propanoic acid
CID 138741230
tert-butyl N-[(E,1R)-1,4-diphenylpent-3-enyl]-N-methylcarbamate
CID 144980444
tert-butyl 2-(dimethylamino)-3-hydroxy-3-phenylpropanoate
CID 24977280

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3,3-diphenylpropanoic acid?
The IUPAC name of 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3,3-diphenylpropanoic acid (CID 18352705) is 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3,3-diphenylpropanoic acid.
What is the SMILES notation for 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3,3-diphenylpropanoic acid?
The canonical SMILES for 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3,3-diphenylpropanoic acid is CN(C(=O)OC(C)(C)C)C(C(=O)O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3,3-diphenylpropanoic acid?
The InChIKey is GDVYLFRTMJMJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-21(2,3)26-20(25)22(4)18(19(23)24)17(15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14,17-18H,1-4H3,(H,23,24).
What are the key properties of 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3,3-diphenylpropanoic acid?
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3,3-diphenylpropanoic acid has a molecular weight of 355.43 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3,3-diphenylpropanoic acid is sourced from PubChem (CID 18352705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).