2-[acetyl(ethyl)amino]-2-(3-chlorophenyl)butanoic acid

C14H18ClNO3 — CID 55232397

IUPAC2-[acetyl(ethyl)amino]-2-(3-chlorophenyl)butanoic acid
SMILESCCN(C(C)=O)C(CC)(C(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C14H18ClNO3/c1-4-14(13(18)19,16(5-2)10(3)17)11-7-6-8-12(15)9-11/h6-9H,4-5H2,1-3H3,(H,18,19)
InChIKeyYVZDYNJESUNWOE-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.90
Rot. Bonds5

About 2-[acetyl(ethyl)amino]-2-(3-chlorophenyl)butanoic acid

2-[acetyl(ethyl)amino]-2-(3-chlorophenyl)butanoic acid (PubChem CID 55232397) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 2-[acetyl(ethyl)amino]-2-(3-chlorophenyl)butanoic acid.

Molecular Properties

Compound Name2-[acetyl(ethyl)amino]-2-(3-chlorophenyl)butanoic acid
PubChem CID55232397
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name2-[acetyl(ethyl)amino]-2-(3-chlorophenyl)butanoic acid
SMILESCCN(C(C)=O)C(CC)(C(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C14H18ClNO3/c1-4-14(13(18)19,16(5-2)10(3)17)11-7-6-8-12(15)9-11/h6-9H,4-5H2,1-3H3,(H,18,19)
InChIKeyYVZDYNJESUNWOE-UHFFFAOYSA-N
XLogP2.90
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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(propyl)amino]-2-(3-chlorophenyl)butanoic acid
CID 63701379
2-[acetyl(ethyl)amino]-2-phenylbutanoic acid
CID 63701693
2-[acetyl(propan-2-yl)amino]-2-(3-chlorophenyl)butanoic acid
CID 63704056
2-(3-chlorophenyl)-2-[cyclopropyl(formyl)amino]butanoic acid
CID 63689481
2-amino-2-(3-chlorophenyl)butanoic acid
CID 24690469
2-(butan-2-ylamino)-2-(3-chlorophenyl)butanoic acid
CID 61024537
2-(3-chlorophenyl)-2-(methylamino)butanoic acid
CID 43753632
3-(3-chlorophenyl)-3-hydroxy-2,2-dimethylpentanoic acid
CID 62396288
2-[acetyl(methyl)amino]-2-(3-fluorophenyl)butanoic acid
CID 114872016
2-(3-chlorophenyl)-2-methylpropanoic acid
CID 15582644
2-[acetyl(methyl)amino]-2-phenylbutanoic acid
CID 63701928
3-amino-3-(3-chlorophenyl)pentanoic acid
CID 64665989

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(ethyl)amino]-2-(3-chlorophenyl)butanoic acid?
The IUPAC name of 2-[acetyl(ethyl)amino]-2-(3-chlorophenyl)butanoic acid (CID 55232397) is 2-[acetyl(ethyl)amino]-2-(3-chlorophenyl)butanoic acid.
What is the SMILES notation for 2-[acetyl(ethyl)amino]-2-(3-chlorophenyl)butanoic acid?
The canonical SMILES for 2-[acetyl(ethyl)amino]-2-(3-chlorophenyl)butanoic acid is CCN(C(C)=O)C(CC)(C(=O)O)c1cccc(Cl)c1.
What is the InChIKey of 2-[acetyl(ethyl)amino]-2-(3-chlorophenyl)butanoic acid?
The InChIKey is YVZDYNJESUNWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-4-14(13(18)19,16(5-2)10(3)17)11-7-6-8-12(15)9-11/h6-9H,4-5H2,1-3H3,(H,18,19).
What are the key properties of 2-[acetyl(ethyl)amino]-2-(3-chlorophenyl)butanoic acid?
2-[acetyl(ethyl)amino]-2-(3-chlorophenyl)butanoic acid has a molecular weight of 283.75 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(ethyl)amino]-2-(3-chlorophenyl)butanoic acid is sourced from PubChem (CID 55232397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).