2-[acetyl(propan-2-yl)amino]-3-methyl-2-phenylbutanoic acid

C16H23NO3 — CID 63704049

IUPAC2-[acetyl(propan-2-yl)amino]-3-methyl-2-phenylbutanoic acid
SMILESCC(=O)N(C(C)C)C(C(=O)O)(c1ccccc1)C(C)C
InChIInChI=1S/C16H23NO3/c1-11(2)16(15(19)20,14-9-7-6-8-10-14)17(12(3)4)13(5)18/h6-12H,1-5H3,(H,19,20)
InChIKeyZVEZWDQUNAIGLX-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.88
Rot. Bonds5

About 2-[acetyl(propan-2-yl)amino]-3-methyl-2-phenylbutanoic acid

2-[acetyl(propan-2-yl)amino]-3-methyl-2-phenylbutanoic acid (PubChem CID 63704049) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-[acetyl(propan-2-yl)amino]-3-methyl-2-phenylbutanoic acid.

Molecular Properties

Compound Name2-[acetyl(propan-2-yl)amino]-3-methyl-2-phenylbutanoic acid
PubChem CID63704049
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-[acetyl(propan-2-yl)amino]-3-methyl-2-phenylbutanoic acid
SMILESCC(=O)N(C(C)C)C(C(=O)O)(c1ccccc1)C(C)C
InChIInChI=1S/C16H23NO3/c1-11(2)16(15(19)20,14-9-7-6-8-10-14)17(12(3)4)13(5)18/h6-12H,1-5H3,(H,19,20)
InChIKeyZVEZWDQUNAIGLX-UHFFFAOYSA-N
XLogP2.88
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(diethylamino)-3-methyl-2-phenylbutanoic acid
CID 61340321
2-[formyl(methyl)amino]-3-methyl-2-phenylbutanoic acid
CID 55234413
2-[acetyl(propan-2-yl)amino]-2-pyridin-3-ylpropanoic acid
CID 63704055
lithium;sodium;hydride;2-phenyl-2-propan-2-ylpropanedioic acid
CID 174968652
2-[acetyl(propan-2-yl)amino]-2-methyl-4-phenylbutanoic acid
CID 63703801
2-[acetyl(propan-2-yl)amino]-2-(4-bromophenyl)propanoic acid
CID 55233393
2-[acetyl(propan-2-yl)amino]-2-(4-chlorophenyl)propanoic acid
CID 63703799
2-[acetyl(propan-2-yl)amino]-2-(3-chlorophenyl)butanoic acid
CID 63704056
2-acetamido-3-methyl-2-phenylbutanoic acid
CID 63701624
N-tert-butyl-N-(2-methyl-1-phenylpropyl)acetamide
CID 58983683
2-chloro-3-methyl-2-phenylbutanoic acid;hydrochloride
CID 140979566
2-[acetyl(propan-2-yl)amino]-2-[4-(dimethylamino)phenyl]propanoic acid
CID 63703243

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(propan-2-yl)amino]-3-methyl-2-phenylbutanoic acid?
The IUPAC name of 2-[acetyl(propan-2-yl)amino]-3-methyl-2-phenylbutanoic acid (CID 63704049) is 2-[acetyl(propan-2-yl)amino]-3-methyl-2-phenylbutanoic acid.
What is the SMILES notation for 2-[acetyl(propan-2-yl)amino]-3-methyl-2-phenylbutanoic acid?
The canonical SMILES for 2-[acetyl(propan-2-yl)amino]-3-methyl-2-phenylbutanoic acid is CC(=O)N(C(C)C)C(C(=O)O)(c1ccccc1)C(C)C.
What is the InChIKey of 2-[acetyl(propan-2-yl)amino]-3-methyl-2-phenylbutanoic acid?
The InChIKey is ZVEZWDQUNAIGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-11(2)16(15(19)20,14-9-7-6-8-10-14)17(12(3)4)13(5)18/h6-12H,1-5H3,(H,19,20).
What are the key properties of 2-[acetyl(propan-2-yl)amino]-3-methyl-2-phenylbutanoic acid?
2-[acetyl(propan-2-yl)amino]-3-methyl-2-phenylbutanoic acid has a molecular weight of 277.36 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(propan-2-yl)amino]-3-methyl-2-phenylbutanoic acid is sourced from PubChem (CID 63704049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).