methyl (5S)-3-carbamoyl-5-hydroxycyclopenta[c]pyridine-5-carboxylate

C11H10N2O4 — CID 156580979

IUPACmethyl (5S)-3-carbamoyl-5-hydroxycyclopenta[c]pyridine-5-carboxylate
SMILESCOC(=O)[C@]1(O)C=Cc2cnc(C(N)=O)cc21
InChIInChI=1S/C11H10N2O4/c1-17-10(15)11(16)3-2-6-5-13-8(9(12)14)4-7(6)11/h2-5,16H,1H3,(H2,12,14)/t11-/m0/s1
InChIKeyDHUXXSNMRRWBSK-NSHDSACASA-N
MW234.21 g/mol
LogP-0.43
Rot. Bonds2

About methyl (5S)-3-carbamoyl-5-hydroxycyclopenta[c]pyridine-5-carboxylate

methyl (5S)-3-carbamoyl-5-hydroxycyclopenta[c]pyridine-5-carboxylate (PubChem CID 156580979) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is methyl (5S)-3-carbamoyl-5-hydroxycyclopenta[c]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl (5S)-3-carbamoyl-5-hydroxycyclopenta[c]pyridine-5-carboxylate
PubChem CID156580979
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Namemethyl (5S)-3-carbamoyl-5-hydroxycyclopenta[c]pyridine-5-carboxylate
SMILESCOC(=O)[C@]1(O)C=Cc2cnc(C(N)=O)cc21
InChIInChI=1S/C11H10N2O4/c1-17-10(15)11(16)3-2-6-5-13-8(9(12)14)4-7(6)11/h2-5,16H,1H3,(H2,12,14)/t11-/m0/s1
InChIKeyDHUXXSNMRRWBSK-NSHDSACASA-N
XLogP-0.43
TPSA102.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (5S)-3-carbamoyl-5-hydroxycyclopenta[c]pyridine-5-carboxylate?
The IUPAC name of methyl (5S)-3-carbamoyl-5-hydroxycyclopenta[c]pyridine-5-carboxylate (CID 156580979) is methyl (5S)-3-carbamoyl-5-hydroxycyclopenta[c]pyridine-5-carboxylate.
What is the SMILES notation for methyl (5S)-3-carbamoyl-5-hydroxycyclopenta[c]pyridine-5-carboxylate?
The canonical SMILES for methyl (5S)-3-carbamoyl-5-hydroxycyclopenta[c]pyridine-5-carboxylate is COC(=O)[C@]1(O)C=Cc2cnc(C(N)=O)cc21.
What is the InChIKey of methyl (5S)-3-carbamoyl-5-hydroxycyclopenta[c]pyridine-5-carboxylate?
The InChIKey is DHUXXSNMRRWBSK-NSHDSACASA-N. The full InChI is InChI=1S/C11H10N2O4/c1-17-10(15)11(16)3-2-6-5-13-8(9(12)14)4-7(6)11/h2-5,16H,1H3,(H2,12,14)/t11-/m0/s1.
What are the key properties of methyl (5S)-3-carbamoyl-5-hydroxycyclopenta[c]pyridine-5-carboxylate?
methyl (5S)-3-carbamoyl-5-hydroxycyclopenta[c]pyridine-5-carboxylate has a molecular weight of 234.21 g/mol, XLogP of -0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5S)-3-carbamoyl-5-hydroxycyclopenta[c]pyridine-5-carboxylate is sourced from PubChem (CID 156580979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).