2-[acetyl(propan-2-yl)amino]-2-(4-chlorophenyl)propanoic acid

C14H18ClNO3 — CID 63703799

IUPAC2-[acetyl(propan-2-yl)amino]-2-(4-chlorophenyl)propanoic acid
SMILESCC(=O)N(C(C)C)C(C)(C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO3/c1-9(2)16(10(3)17)14(4,13(18)19)11-5-7-12(15)8-6-11/h5-9H,1-4H3,(H,18,19)
InChIKeyHZMCOWFMDTYOIY-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.90
Rot. Bonds4

About 2-[acetyl(propan-2-yl)amino]-2-(4-chlorophenyl)propanoic acid

2-[acetyl(propan-2-yl)amino]-2-(4-chlorophenyl)propanoic acid (PubChem CID 63703799) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 2-[acetyl(propan-2-yl)amino]-2-(4-chlorophenyl)propanoic acid.

Molecular Properties

Compound Name2-[acetyl(propan-2-yl)amino]-2-(4-chlorophenyl)propanoic acid
PubChem CID63703799
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name2-[acetyl(propan-2-yl)amino]-2-(4-chlorophenyl)propanoic acid
SMILESCC(=O)N(C(C)C)C(C)(C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO3/c1-9(2)16(10(3)17)14(4,13(18)19)11-5-7-12(15)8-6-11/h5-9H,1-4H3,(H,18,19)
InChIKeyHZMCOWFMDTYOIY-UHFFFAOYSA-N
XLogP2.90
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl(propan-2-yl)amino]-2-[4-(dimethylamino)phenyl]propanoic acid
CID 63703243
(2R)-2-(4-chlorophenyl)-2-(dimethylamino)propanoic acid
CID 51887906
2-[acetyl(ethyl)amino]-2-(4-propan-2-ylphenyl)propanoic acid
CID 63701433
2-(4-chlorophenyl)-2-hydroxypropanoic acid
CID 10013044
3-(4-chlorophenyl)-3-hydroxy-2-methylbutanoic acid
CID 62396227
2-(4-fluorophenyl)-2-[methyl(propan-2-yl)amino]propanoic acid
CID 114994570
2-[4-(4-chlorophenyl)phenyl]-2-methylpropanoic acid
CID 82039106
2-[2-(4-chlorophenyl)propan-2-yl]propanedioic acid
CID 90150684
2-[formyl(propan-2-yl)amino]-2-(4-methylphenyl)propanoic acid
CID 63689799
2-[acetyl(propan-2-yl)amino]-2-(3-chlorophenyl)butanoic acid
CID 63704056
2-[acetyl(methyl)amino]-2-[4-(trifluoromethyl)phenyl]propanoic acid
CID 63705318
2-amino-2-(4-chlorophenyl)-3-fluorobutanoic acid
CID 105490300

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(propan-2-yl)amino]-2-(4-chlorophenyl)propanoic acid?
The IUPAC name of 2-[acetyl(propan-2-yl)amino]-2-(4-chlorophenyl)propanoic acid (CID 63703799) is 2-[acetyl(propan-2-yl)amino]-2-(4-chlorophenyl)propanoic acid.
What is the SMILES notation for 2-[acetyl(propan-2-yl)amino]-2-(4-chlorophenyl)propanoic acid?
The canonical SMILES for 2-[acetyl(propan-2-yl)amino]-2-(4-chlorophenyl)propanoic acid is CC(=O)N(C(C)C)C(C)(C(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[acetyl(propan-2-yl)amino]-2-(4-chlorophenyl)propanoic acid?
The InChIKey is HZMCOWFMDTYOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-9(2)16(10(3)17)14(4,13(18)19)11-5-7-12(15)8-6-11/h5-9H,1-4H3,(H,18,19).
What are the key properties of 2-[acetyl(propan-2-yl)amino]-2-(4-chlorophenyl)propanoic acid?
2-[acetyl(propan-2-yl)amino]-2-(4-chlorophenyl)propanoic acid has a molecular weight of 283.75 g/mol, XLogP of 2.90, 4 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]-2-(4-chlorophenyl)propanoic acid is sourced from PubChem (CID 63703799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).