(5R,6S)-3-[(5R)-2-carbamoyl-1-methyl-5,6-dihydro-4H-pyrimidin-5-yl]-6-(2-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

C15H20N4O5 — CID 67902655

IUPAC(5R,6S)-3-[(5R)-2-carbamoyl-1-methyl-5,6-dihydro-4H-pyrimidin-5-yl]-6-(2-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
SMILESCN1C[C@H](C2=C(C(=O)O)N3C(=O)[C@@H](CCO)[C@H]3C2)CN=C1C(N)=O
InChIInChI=1S/C15H20N4O5/c1-18-6-7(5-17-13(18)12(16)21)9-4-10-8(2-3-20)14(22)19(10)11(9)15(23)24/h7-8,10,20H,2-6H2,1H3,(H2,16,21)(H,23,24)/t7-,8+,10-/m1/s1
InChIKeyRQQWIUAOXJNBAM-KHQFGBGNSA-N
MW336.35 g/mol
LogP-1.62
Rot. Bonds5

About (5R,6S)-3-[(5R)-2-carbamoyl-1-methyl-5,6-dihydro-4H-pyrimidin-5-yl]-6-(2-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

(5R,6S)-3-[(5R)-2-carbamoyl-1-methyl-5,6-dihydro-4H-pyrimidin-5-yl]-6-(2-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (PubChem CID 67902655) has the molecular formula C15H20N4O5 and a molecular weight of 336.35 g/mol. Its IUPAC name is (5R,6S)-3-[(5R)-2-carbamoyl-1-methyl-5,6-dihydro-4H-pyrimidin-5-yl]-6-(2-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid.

Molecular Properties

Compound Name(5R,6S)-3-[(5R)-2-carbamoyl-1-methyl-5,6-dihydro-4H-pyrimidin-5-yl]-6-(2-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
PubChem CID67902655
Molecular FormulaC15H20N4O5
Molecular Weight336.35 g/mol
Exact Mass336.14
IUPAC Name(5R,6S)-3-[(5R)-2-carbamoyl-1-methyl-5,6-dihydro-4H-pyrimidin-5-yl]-6-(2-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
SMILESCN1C[C@H](C2=C(C(=O)O)N3C(=O)[C@@H](CCO)[C@H]3C2)CN=C1C(N)=O
InChIInChI=1S/C15H20N4O5/c1-18-6-7(5-17-13(18)12(16)21)9-4-10-8(2-3-20)14(22)19(10)11(9)15(23)24/h7-8,10,20H,2-6H2,1H3,(H2,16,21)(H,23,24)/t7-,8+,10-/m1/s1
InChIKeyRQQWIUAOXJNBAM-KHQFGBGNSA-N
XLogP-1.62
TPSA136.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 5-1.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (5R,6S)-3-[(5R)-2-carbamoyl-1-methyl-5,6-dihydro-4H-pyrimidin-5-yl]-6-(2-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-3-[(5R)-2-carbamoyl-1-methyl-5,6-dihydro-4H-pyrimidin-5-yl]-6-(2-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid?
The IUPAC name of (5R,6S)-3-[(5R)-2-carbamoyl-1-methyl-5,6-dihydro-4H-pyrimidin-5-yl]-6-(2-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (CID 67902655) is (5R,6S)-3-[(5R)-2-carbamoyl-1-methyl-5,6-dihydro-4H-pyrimidin-5-yl]-6-(2-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid.
What is the SMILES notation for (5R,6S)-3-[(5R)-2-carbamoyl-1-methyl-5,6-dihydro-4H-pyrimidin-5-yl]-6-(2-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid?
The canonical SMILES for (5R,6S)-3-[(5R)-2-carbamoyl-1-methyl-5,6-dihydro-4H-pyrimidin-5-yl]-6-(2-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid is CN1C[C@H](C2=C(C(=O)O)N3C(=O)[C@@H](CCO)[C@H]3C2)CN=C1C(N)=O.
What is the InChIKey of (5R,6S)-3-[(5R)-2-carbamoyl-1-methyl-5,6-dihydro-4H-pyrimidin-5-yl]-6-(2-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid?
The InChIKey is RQQWIUAOXJNBAM-KHQFGBGNSA-N. The full InChI is InChI=1S/C15H20N4O5/c1-18-6-7(5-17-13(18)12(16)21)9-4-10-8(2-3-20)14(22)19(10)11(9)15(23)24/h7-8,10,20H,2-6H2,1H3,(H2,16,21)(H,23,24)/t7-,8+,10-/m1/s1.
What are the key properties of (5R,6S)-3-[(5R)-2-carbamoyl-1-methyl-5,6-dihydro-4H-pyrimidin-5-yl]-6-(2-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid?
(5R,6S)-3-[(5R)-2-carbamoyl-1-methyl-5,6-dihydro-4H-pyrimidin-5-yl]-6-(2-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid has a molecular weight of 336.35 g/mol, XLogP of -1.62, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-3-[(5R)-2-carbamoyl-1-methyl-5,6-dihydro-4H-pyrimidin-5-yl]-6-(2-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid is sourced from PubChem (CID 67902655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).