potassium 1-[[2-(3-chlorophenyl)acetyl]amino]-3-hydroxycyclobutane-1-carboxylate

C13H13ClKNO4 — CID 166275493

IUPACpotassium 1-[[2-(3-chlorophenyl)acetyl]amino]-3-hydroxycyclobutane-1-carboxylate
SMILESO=C(Cc1cccc(Cl)c1)NC1(C(=O)[O-])CC(O)C1.[K+]
InChIInChI=1S/C13H14ClNO4.K/c14-9-3-1-2-8(4-9)5-11(17)15-13(12(18)19)6-10(16)7-13;/h1-4,10,16H,5-7H2,(H,15,17)(H,18,19);/q;+1/p-1
InChIKeyPJCNROCVJOEAIC-UHFFFAOYSA-M
MW321.80 g/mol
LogP-3.35
Rot. Bonds4

About potassium 1-[[2-(3-chlorophenyl)acetyl]amino]-3-hydroxycyclobutane-1-carboxylate

potassium 1-[[2-(3-chlorophenyl)acetyl]amino]-3-hydroxycyclobutane-1-carboxylate (PubChem CID 166275493) has the molecular formula C13H13ClKNO4 and a molecular weight of 321.80 g/mol. Its IUPAC name is potassium 1-[[2-(3-chlorophenyl)acetyl]amino]-3-hydroxycyclobutane-1-carboxylate.

Molecular Properties

Compound Namepotassium 1-[[2-(3-chlorophenyl)acetyl]amino]-3-hydroxycyclobutane-1-carboxylate
PubChem CID166275493
Molecular FormulaC13H13ClKNO4
Molecular Weight321.80 g/mol
Exact Mass321.02
IUPAC Namepotassium 1-[[2-(3-chlorophenyl)acetyl]amino]-3-hydroxycyclobutane-1-carboxylate
SMILESO=C(Cc1cccc(Cl)c1)NC1(C(=O)[O-])CC(O)C1.[K+]
InChIInChI=1S/C13H14ClNO4.K/c14-9-3-1-2-8(4-9)5-11(17)15-13(12(18)19)6-10(16)7-13;/h1-4,10,16H,5-7H2,(H,15,17)(H,18,19);/q;+1/p-1
InChIKeyPJCNROCVJOEAIC-UHFFFAOYSA-M
XLogP-3.35
TPSA89.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.80
LogP ≤ 5-3.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze potassium 1-[[2-(3-chlorophenyl)acetyl]amino]-3-hydroxycyclobutane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(chloromethyl)-3-methylcyclohexyl]-2-(3-chlorophenyl)acetamide
CID 114303953
2-(3-chlorophenyl)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
CID 103954217
2-(3-chlorophenyl)-N-[2-(2-chlorophenyl)-2-methylcyclopropyl]acetamide
CID 166211233
2-[[2-(3-chlorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 64813756
N-(4-bromocyclohexyl)-2-(3-chlorophenyl)acetamide
CID 113274232
N-(4-aminocyclohexyl)-2-(3-chlorophenyl)acetamide
CID 62504081
2-[3-(3-chlorophenyl)phenyl]acetate
CID 7022503
1-(3-chlorophenyl)propan-2-one
CID 2734097
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(3-chlorophenyl)acetamide
CID 55084121
2-(3-chlorophenyl)-N-(4-cyano-1-methylpiperidin-4-yl)acetamide
CID 62505287
N-[(4-aminophenyl)methyl]-2-(3-chlorophenyl)acetamide
CID 62503389
N-[(2R,4S,6S)-2-(3-chlorophenyl)-6-(4-chlorophenyl)-4-methyloxan-4-yl]-2-phenylacetamide
CID 129453811

Frequently Asked Questions

What is the IUPAC name of potassium 1-[[2-(3-chlorophenyl)acetyl]amino]-3-hydroxycyclobutane-1-carboxylate?
The IUPAC name of potassium 1-[[2-(3-chlorophenyl)acetyl]amino]-3-hydroxycyclobutane-1-carboxylate (CID 166275493) is potassium 1-[[2-(3-chlorophenyl)acetyl]amino]-3-hydroxycyclobutane-1-carboxylate.
What is the SMILES notation for potassium 1-[[2-(3-chlorophenyl)acetyl]amino]-3-hydroxycyclobutane-1-carboxylate?
The canonical SMILES for potassium 1-[[2-(3-chlorophenyl)acetyl]amino]-3-hydroxycyclobutane-1-carboxylate is O=C(Cc1cccc(Cl)c1)NC1(C(=O)[O-])CC(O)C1.[K+].
What is the InChIKey of potassium 1-[[2-(3-chlorophenyl)acetyl]amino]-3-hydroxycyclobutane-1-carboxylate?
The InChIKey is PJCNROCVJOEAIC-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H14ClNO4.K/c14-9-3-1-2-8(4-9)5-11(17)15-13(12(18)19)6-10(16)7-13;/h1-4,10,16H,5-7H2,(H,15,17)(H,18,19);/q;+1/p-1.
What are the key properties of potassium 1-[[2-(3-chlorophenyl)acetyl]amino]-3-hydroxycyclobutane-1-carboxylate?
potassium 1-[[2-(3-chlorophenyl)acetyl]amino]-3-hydroxycyclobutane-1-carboxylate has a molecular weight of 321.80 g/mol, XLogP of -3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1-[[2-(3-chlorophenyl)acetyl]amino]-3-hydroxycyclobutane-1-carboxylate is sourced from PubChem (CID 166275493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).