2-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-4-(4-phenylphenyl)butanoic acid

C22H28N2O4 — CID 170564907

IUPAC2-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-4-(4-phenylphenyl)butanoic acid
SMILESCC(C)(C)OC(=O)NNC(C)(CCc1ccc(-c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C22H28N2O4/c1-21(2,3)28-20(27)23-24-22(4,19(25)26)15-14-16-10-12-18(13-11-16)17-8-6-5-7-9-17/h5-13,24H,14-15H2,1-4H3,(H,23,27)(H,25,26)
InChIKeyIAKJBZFBBCMNKJ-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.16
Rot. Bonds7

About 2-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-4-(4-phenylphenyl)butanoic acid

2-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-4-(4-phenylphenyl)butanoic acid (PubChem CID 170564907) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-4-(4-phenylphenyl)butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-4-(4-phenylphenyl)butanoic acid
PubChem CID170564907
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name2-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-4-(4-phenylphenyl)butanoic acid
SMILESCC(C)(C)OC(=O)NNC(C)(CCc1ccc(-c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C22H28N2O4/c1-21(2,3)28-20(27)23-24-22(4,19(25)26)15-14-16-10-12-18(13-11-16)17-8-6-5-7-9-17/h5-13,24H,14-15H2,1-4H3,(H,23,27)(H,25,26)
InChIKeyIAKJBZFBBCMNKJ-UHFFFAOYSA-N
XLogP4.16
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-4-(4-phenylphenyl)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylphenyl)propanoic acid
CID 4623908
2-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoic acid
CID 22284629
tert-butyl N-[(2R)-1-hydroxy-3-(4-phenylphenyl)propan-2-yl]carbamate
CID 71511817
tert-butyl N-[(2R)-1-amino-1-oxo-3-(4-phenylphenyl)propan-2-yl]carbamate
CID 141164867
sodium (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylphenyl)propanoate
CID 102146078
(4S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanoic acid
CID 58027482
tert-butyl N-(2-phenylethyl)carbamate;ethane
CID 177159157
S-methyl (4S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanethioate
CID 144755445
methyl (2R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanoate;(2R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanoic acid
CID 160586987
methyl 2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanoate;2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanoic acid
CID 160586988
tert-butyl N-[(2S)-1-(cyanomethylamino)-1-oxo-3-(4-phenylphenyl)propan-2-yl]carbamate
CID 11494632
3-(4-hydroxyphenyl)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 22630288

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-4-(4-phenylphenyl)butanoic acid?
The IUPAC name of 2-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-4-(4-phenylphenyl)butanoic acid (CID 170564907) is 2-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-4-(4-phenylphenyl)butanoic acid.
What is the SMILES notation for 2-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-4-(4-phenylphenyl)butanoic acid?
The canonical SMILES for 2-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-4-(4-phenylphenyl)butanoic acid is CC(C)(C)OC(=O)NNC(C)(CCc1ccc(-c2ccccc2)cc1)C(=O)O.
What is the InChIKey of 2-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-4-(4-phenylphenyl)butanoic acid?
The InChIKey is IAKJBZFBBCMNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-21(2,3)28-20(27)23-24-22(4,19(25)26)15-14-16-10-12-18(13-11-16)17-8-6-5-7-9-17/h5-13,24H,14-15H2,1-4H3,(H,23,27)(H,25,26).
What are the key properties of 2-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-4-(4-phenylphenyl)butanoic acid?
2-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-4-(4-phenylphenyl)butanoic acid has a molecular weight of 384.48 g/mol, XLogP of 4.16, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-4-(4-phenylphenyl)butanoic acid is sourced from PubChem (CID 170564907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).