5-(1-amino-1-oxopropan-2-yl)oxy-2-chlorobenzoic acid

C10H10ClNO4 — CID 106500798

IUPAC5-(1-amino-1-oxopropan-2-yl)oxy-2-chlorobenzoic acid
SMILESCC(Oc1ccc(Cl)c(C(=O)O)c1)C(N)=O
InChIInChI=1S/C10H10ClNO4/c1-5(9(12)13)16-6-2-3-8(11)7(4-6)10(14)15/h2-5H,1H3,(H2,12,13)(H,14,15)
InChIKeyISUVRNPZAWRKKW-UHFFFAOYSA-N
MW243.65 g/mol
LogP1.29
Rot. Bonds4

About 5-(1-amino-1-oxopropan-2-yl)oxy-2-chlorobenzoic acid

5-(1-amino-1-oxopropan-2-yl)oxy-2-chlorobenzoic acid (PubChem CID 106500798) has the molecular formula C10H10ClNO4 and a molecular weight of 243.65 g/mol. Its IUPAC name is 5-(1-amino-1-oxopropan-2-yl)oxy-2-chlorobenzoic acid.

Molecular Properties

Compound Name5-(1-amino-1-oxopropan-2-yl)oxy-2-chlorobenzoic acid
PubChem CID106500798
Molecular FormulaC10H10ClNO4
Molecular Weight243.65 g/mol
Exact Mass243.03
IUPAC Name5-(1-amino-1-oxopropan-2-yl)oxy-2-chlorobenzoic acid
SMILESCC(Oc1ccc(Cl)c(C(=O)O)c1)C(N)=O
InChIInChI=1S/C10H10ClNO4/c1-5(9(12)13)16-6-2-3-8(11)7(4-6)10(14)15/h2-5H,1H3,(H2,12,13)(H,14,15)
InChIKeyISUVRNPZAWRKKW-UHFFFAOYSA-N
XLogP1.29
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.65
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-amino-1-oxopropan-2-yl)oxy-3-chlorobenzoic acid
CID 112612004
2-chloro-5-[1-(cyclopentylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 106500745
(2R)-2-(4-hydroxyphenoxy)propanamide
CID 67641252
2-(3,4-dichlorophenoxy)propanoic acid;ethane
CID 142915874
2-chloro-5-(3-hydroxybutoxy)benzoic acid
CID 106500843
(2R)-2-(4-bromophenoxy)propanamide
CID 974910
2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 47095242
2-[4-(1-hydroxyethyl)phenoxy]propanamide
CID 43503658
5-(1-aminoethyl)-2-chlorobenzoic acid
CID 55271591
(2S)-2-(3-bromo-4-chlorophenoxy)propanoic acid
CID 138684246
2-(4-bromo-3-methylphenoxy)propanamide
CID 81302434
(2R)-2-[3-(2-chlorophenyl)phenoxy]propanamide
CID 95205129

Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-1-oxopropan-2-yl)oxy-2-chlorobenzoic acid?
The IUPAC name of 5-(1-amino-1-oxopropan-2-yl)oxy-2-chlorobenzoic acid (CID 106500798) is 5-(1-amino-1-oxopropan-2-yl)oxy-2-chlorobenzoic acid.
What is the SMILES notation for 5-(1-amino-1-oxopropan-2-yl)oxy-2-chlorobenzoic acid?
The canonical SMILES for 5-(1-amino-1-oxopropan-2-yl)oxy-2-chlorobenzoic acid is CC(Oc1ccc(Cl)c(C(=O)O)c1)C(N)=O.
What is the InChIKey of 5-(1-amino-1-oxopropan-2-yl)oxy-2-chlorobenzoic acid?
The InChIKey is ISUVRNPZAWRKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO4/c1-5(9(12)13)16-6-2-3-8(11)7(4-6)10(14)15/h2-5H,1H3,(H2,12,13)(H,14,15).
What are the key properties of 5-(1-amino-1-oxopropan-2-yl)oxy-2-chlorobenzoic acid?
5-(1-amino-1-oxopropan-2-yl)oxy-2-chlorobenzoic acid has a molecular weight of 243.65 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-1-oxopropan-2-yl)oxy-2-chlorobenzoic acid is sourced from PubChem (CID 106500798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).