4-acetamido-3-(pentan-3-ylamino)benzoic acid

C14H20N2O3 — CID 5275967

IUPAC4-acetamido-3-(pentan-3-ylamino)benzoic acid
SMILESCCC(CC)Nc1cc(C(=O)O)ccc1NC(C)=O
InChIInChI=1S/C14H20N2O3/c1-4-11(5-2)16-13-8-10(14(18)19)6-7-12(13)15-9(3)17/h6-8,11,16H,4-5H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyQWGXCMBQVNXFFZ-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.94
Rot. Bonds6

About 4-acetamido-3-(pentan-3-ylamino)benzoic acid

4-acetamido-3-(pentan-3-ylamino)benzoic acid (PubChem CID 5275967) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-acetamido-3-(pentan-3-ylamino)benzoic acid.

Molecular Properties

Compound Name4-acetamido-3-(pentan-3-ylamino)benzoic acid
PubChem CID5275967
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-acetamido-3-(pentan-3-ylamino)benzoic acid
SMILESCCC(CC)Nc1cc(C(=O)O)ccc1NC(C)=O
InChIInChI=1S/C14H20N2O3/c1-4-11(5-2)16-13-8-10(14(18)19)6-7-12(13)15-9(3)17/h6-8,11,16H,4-5H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyQWGXCMBQVNXFFZ-UHFFFAOYSA-N
XLogP2.94
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-acetamido-3-(pentan-3-ylamino)benzoic acid?
The IUPAC name of 4-acetamido-3-(pentan-3-ylamino)benzoic acid (CID 5275967) is 4-acetamido-3-(pentan-3-ylamino)benzoic acid.
What is the SMILES notation for 4-acetamido-3-(pentan-3-ylamino)benzoic acid?
The canonical SMILES for 4-acetamido-3-(pentan-3-ylamino)benzoic acid is CCC(CC)Nc1cc(C(=O)O)ccc1NC(C)=O.
What is the InChIKey of 4-acetamido-3-(pentan-3-ylamino)benzoic acid?
The InChIKey is QWGXCMBQVNXFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-11(5-2)16-13-8-10(14(18)19)6-7-12(13)15-9(3)17/h6-8,11,16H,4-5H2,1-3H3,(H,15,17)(H,18,19).
What are the key properties of 4-acetamido-3-(pentan-3-ylamino)benzoic acid?
4-acetamido-3-(pentan-3-ylamino)benzoic acid has a molecular weight of 264.32 g/mol, XLogP of 2.94, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-3-(pentan-3-ylamino)benzoic acid is sourced from PubChem (CID 5275967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).