2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylacetic acid

C17H25NO4 — CID 172791429

IUPAC2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylacetic acid
SMILESCC(C)(C)OC(=O)N(C(C(=O)O)c1ccccc1)C(C)(C)C
InChIInChI=1S/C17H25NO4/c1-16(2,3)18(15(21)22-17(4,5)6)13(14(19)20)12-10-8-7-9-11-12/h7-11,13H,1-6H3,(H,19,20)
InChIKeyPPUAUGFSVGTFBB-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.85
Rot. Bonds3

About 2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylacetic acid

2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylacetic acid (PubChem CID 172791429) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylacetic acid
PubChem CID172791429
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Name2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylacetic acid
SMILESCC(C)(C)OC(=O)N(C(C(=O)O)c1ccccc1)C(C)(C)C
InChIInChI=1S/C17H25NO4/c1-16(2,3)18(15(21)22-17(4,5)6)13(14(19)20)12-10-8-7-9-11-12/h7-11,13H,1-6H3,(H,19,20)
InChIKeyPPUAUGFSVGTFBB-UHFFFAOYSA-N
XLogP3.85
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylacetic 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-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3,3-diphenylpropanoic acid
CID 18352705
(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylpropyl)amino]propanoic acid
CID 156681988
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-[(1S)-1-phenylethyl]amino]-2-phenylacetate
CID 101155770
methyl (2R)-2-[4-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-2-phenylacetate
CID 10737969
2-(3-bromophenyl)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 59825102
(2S)-2-[3-(3-hydroxyphenyl)propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylacetic acid
CID 118973547
2-[(2-methylpropan-2-yl)oxycarbonyl-[(3-nitrophenyl)methyl]amino]-2-phenylacetic acid
CID 174539428
methyl 2-[[2-[tert-butyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-2-phenylacetyl]amino]acetate
CID 18012532
tert-butyl N-but-3-ynyl-N-(1-phenylethyl)carbamate
CID 132546673
tert-butyl N-(2-amino-2-phenylethyl)-N-methylcarbamate
CID 67066123
2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 53399063
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-(6-methyl-3-pyridinyl)acetic acid
CID 104822603

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylacetic acid?
The IUPAC name of 2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylacetic acid (CID 172791429) is 2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylacetic acid?
The canonical SMILES for 2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylacetic acid is CC(C)(C)OC(=O)N(C(C(=O)O)c1ccccc1)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylacetic acid?
The InChIKey is PPUAUGFSVGTFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-16(2,3)18(15(21)22-17(4,5)6)13(14(19)20)12-10-8-7-9-11-12/h7-11,13H,1-6H3,(H,19,20).
What are the key properties of 2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylacetic acid?
2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylacetic acid has a molecular weight of 307.39 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 172791429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).