(6R)-3-acetyl-6-[(2-chlorobenzoyl)amino]-7-oxo-1,3-diazabicyclo[3.2.0]heptane-2-carboxylic acid

C15H14ClN3O5 — CID 70593035

IUPAC(6R)-3-acetyl-6-[(2-chlorobenzoyl)amino]-7-oxo-1,3-diazabicyclo[3.2.0]heptane-2-carboxylic acid
SMILESCC(=O)N1CC2[C@@H](NC(=O)c3ccccc3Cl)C(=O)N2C1C(=O)O
InChIInChI=1S/C15H14ClN3O5/c1-7(20)18-6-10-11(14(22)19(10)13(18)15(23)24)17-12(21)8-4-2-3-5-9(8)16/h2-5,10-11,13H,6H2,1H3,(H,17,21)(H,23,24)/t10?,11-,13?/m1/s1
InChIKeyXCVSAHIYSYJXAU-QWKFWESOSA-N
MW351.75 g/mol
LogP-0.08
Rot. Bonds3

About (6R)-3-acetyl-6-[(2-chlorobenzoyl)amino]-7-oxo-1,3-diazabicyclo[3.2.0]heptane-2-carboxylic acid

(6R)-3-acetyl-6-[(2-chlorobenzoyl)amino]-7-oxo-1,3-diazabicyclo[3.2.0]heptane-2-carboxylic acid (PubChem CID 70593035) has the molecular formula C15H14ClN3O5 and a molecular weight of 351.75 g/mol. Its IUPAC name is (6R)-3-acetyl-6-[(2-chlorobenzoyl)amino]-7-oxo-1,3-diazabicyclo[3.2.0]heptane-2-carboxylic acid.

Molecular Properties

Compound Name(6R)-3-acetyl-6-[(2-chlorobenzoyl)amino]-7-oxo-1,3-diazabicyclo[3.2.0]heptane-2-carboxylic acid
PubChem CID70593035
Molecular FormulaC15H14ClN3O5
Molecular Weight351.75 g/mol
Exact Mass351.06
IUPAC Name(6R)-3-acetyl-6-[(2-chlorobenzoyl)amino]-7-oxo-1,3-diazabicyclo[3.2.0]heptane-2-carboxylic acid
SMILESCC(=O)N1CC2[C@@H](NC(=O)c3ccccc3Cl)C(=O)N2C1C(=O)O
InChIInChI=1S/C15H14ClN3O5/c1-7(20)18-6-10-11(14(22)19(10)13(18)15(23)24)17-12(21)8-4-2-3-5-9(8)16/h2-5,10-11,13H,6H2,1H3,(H,17,21)(H,23,24)/t10?,11-,13?/m1/s1
InChIKeyXCVSAHIYSYJXAU-QWKFWESOSA-N
XLogP-0.08
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.75
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (6R)-3-acetyl-6-[(2-chlorobenzoyl)amino]-7-oxo-1,3-diazabicyclo[3.2.0]heptane-2-carboxylic acid with MolForge

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Related Compounds

benzyl (6R)-3-acetyl-6-[(4-methylbenzoyl)amino]-7-oxo-1,3-diazabicyclo[3.2.0]heptane-2-carboxylate
CID 70596066
trans-(1R,3R)-3-[(2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 97318284
2-chloro-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]benzamide
CID 110125116
N-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-2-chlorobenzamide
CID 2253575
2-chloro-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)benzamide
CID 3398398
2-chloro-N-cyclopentylbenzamide
CID 669043
4-[(2-chlorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79209654
2-chloro-N-[(2S,6S)-2,6-dimethylmorpholine-4-carbothioyl]benzamide
CID 695632
2-chloro-N-[(1S,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]benzamide
CID 7089014
2-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)benzamide
CID 114302135
2-chloro-N-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]benzamide
CID 124714552
2-chloro-N-[(1R,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]benzamide
CID 11935636

Frequently Asked Questions

What is the IUPAC name of (6R)-3-acetyl-6-[(2-chlorobenzoyl)amino]-7-oxo-1,3-diazabicyclo[3.2.0]heptane-2-carboxylic acid?
The IUPAC name of (6R)-3-acetyl-6-[(2-chlorobenzoyl)amino]-7-oxo-1,3-diazabicyclo[3.2.0]heptane-2-carboxylic acid (CID 70593035) is (6R)-3-acetyl-6-[(2-chlorobenzoyl)amino]-7-oxo-1,3-diazabicyclo[3.2.0]heptane-2-carboxylic acid.
What is the SMILES notation for (6R)-3-acetyl-6-[(2-chlorobenzoyl)amino]-7-oxo-1,3-diazabicyclo[3.2.0]heptane-2-carboxylic acid?
The canonical SMILES for (6R)-3-acetyl-6-[(2-chlorobenzoyl)amino]-7-oxo-1,3-diazabicyclo[3.2.0]heptane-2-carboxylic acid is CC(=O)N1CC2[C@@H](NC(=O)c3ccccc3Cl)C(=O)N2C1C(=O)O.
What is the InChIKey of (6R)-3-acetyl-6-[(2-chlorobenzoyl)amino]-7-oxo-1,3-diazabicyclo[3.2.0]heptane-2-carboxylic acid?
The InChIKey is XCVSAHIYSYJXAU-QWKFWESOSA-N. The full InChI is InChI=1S/C15H14ClN3O5/c1-7(20)18-6-10-11(14(22)19(10)13(18)15(23)24)17-12(21)8-4-2-3-5-9(8)16/h2-5,10-11,13H,6H2,1H3,(H,17,21)(H,23,24)/t10?,11-,13?/m1/s1.
What are the key properties of (6R)-3-acetyl-6-[(2-chlorobenzoyl)amino]-7-oxo-1,3-diazabicyclo[3.2.0]heptane-2-carboxylic acid?
(6R)-3-acetyl-6-[(2-chlorobenzoyl)amino]-7-oxo-1,3-diazabicyclo[3.2.0]heptane-2-carboxylic acid has a molecular weight of 351.75 g/mol, XLogP of -0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3-acetyl-6-[(2-chlorobenzoyl)amino]-7-oxo-1,3-diazabicyclo[3.2.0]heptane-2-carboxylic acid is sourced from PubChem (CID 70593035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).