2-(1-amino-1-oxopropan-2-yl)oxy-3-chlorobenzoic acid

C10H10ClNO4 — CID 112612004

IUPAC2-(1-amino-1-oxopropan-2-yl)oxy-3-chlorobenzoic acid
SMILESCC(Oc1c(Cl)cccc1C(=O)O)C(N)=O
InChIInChI=1S/C10H10ClNO4/c1-5(9(12)13)16-8-6(10(14)15)3-2-4-7(8)11/h2-5H,1H3,(H2,12,13)(H,14,15)
InChIKeyIMPKRKDGTPICKM-UHFFFAOYSA-N
MW243.65 g/mol
LogP1.29
Rot. Bonds4

About 2-(1-amino-1-oxopropan-2-yl)oxy-3-chlorobenzoic acid

2-(1-amino-1-oxopropan-2-yl)oxy-3-chlorobenzoic acid (PubChem CID 112612004) has the molecular formula C10H10ClNO4 and a molecular weight of 243.65 g/mol. Its IUPAC name is 2-(1-amino-1-oxopropan-2-yl)oxy-3-chlorobenzoic acid.

Molecular Properties

Compound Name2-(1-amino-1-oxopropan-2-yl)oxy-3-chlorobenzoic acid
PubChem CID112612004
Molecular FormulaC10H10ClNO4
Molecular Weight243.65 g/mol
Exact Mass243.03
IUPAC Name2-(1-amino-1-oxopropan-2-yl)oxy-3-chlorobenzoic acid
SMILESCC(Oc1c(Cl)cccc1C(=O)O)C(N)=O
InChIInChI=1S/C10H10ClNO4/c1-5(9(12)13)16-8-6(10(14)15)3-2-4-7(8)11/h2-5H,1H3,(H2,12,13)(H,14,15)
InChIKeyIMPKRKDGTPICKM-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

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CID 112612073
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5-(1-amino-1-oxopropan-2-yl)oxy-2-chlorobenzoic acid
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(2R)-2-(2,3-dichlorophenoxy)propanamide
CID 7372370
ethyl 2-(2,6-dichlorophenoxy)propanoate
CID 13177850
3-chloro-2-(2-methoxyphenoxy)benzoic acid
CID 113434883
2-[2-(2-aminobutyl)-6-chlorophenoxy]propanamide
CID 112615776
3-amino-2-(1-carboxyethoxy)benzoic acid
CID 107077529
2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]propanamide
CID 112610531
3-chloro-2-(2-methylpentoxy)benzoic acid
CID 112612032
3-chloro-2-heptoxybenzoic acid
CID 112611877
1-amino-4-(1-amino-1-oxopropan-2-yl)oxynaphthalene-2-carboxylic acid
CID 80689283

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-1-oxopropan-2-yl)oxy-3-chlorobenzoic acid?
The IUPAC name of 2-(1-amino-1-oxopropan-2-yl)oxy-3-chlorobenzoic acid (CID 112612004) is 2-(1-amino-1-oxopropan-2-yl)oxy-3-chlorobenzoic acid.
What is the SMILES notation for 2-(1-amino-1-oxopropan-2-yl)oxy-3-chlorobenzoic acid?
The canonical SMILES for 2-(1-amino-1-oxopropan-2-yl)oxy-3-chlorobenzoic acid is CC(Oc1c(Cl)cccc1C(=O)O)C(N)=O.
What is the InChIKey of 2-(1-amino-1-oxopropan-2-yl)oxy-3-chlorobenzoic acid?
The InChIKey is IMPKRKDGTPICKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO4/c1-5(9(12)13)16-8-6(10(14)15)3-2-4-7(8)11/h2-5H,1H3,(H2,12,13)(H,14,15).
What are the key properties of 2-(1-amino-1-oxopropan-2-yl)oxy-3-chlorobenzoic acid?
2-(1-amino-1-oxopropan-2-yl)oxy-3-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 2-(1-amino-1-oxopropan-2-yl)oxy-3-chlorobenzoic acid is sourced from PubChem (CID 112612004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).