methyl 5-[[(1R,2R,4S)-2-hydroxy-4-(morpholine-4-carbonyl)cyclopentyl]carbamoyl]pyrazine-2-carboxylate

C17H22N4O6 — CID 163304648

IUPACmethyl 5-[[(1R,2R,4S)-2-hydroxy-4-(morpholine-4-carbonyl)cyclopentyl]carbamoyl]pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(C(=O)N[C@@H]2C[C@H](C(=O)N3CCOCC3)C[C@H]2O)cn1
InChIInChI=1S/C17H22N4O6/c1-26-17(25)13-9-18-12(8-19-13)15(23)20-11-6-10(7-14(11)22)16(24)21-2-4-27-5-3-21/h8-11,14,22H,2-7H2,1H3,(H,20,23)/t10-,11+,14+/m0/s1
InChIKeyXQRZMYONVUTCCO-MISXGVKJSA-N
MW378.39 g/mol
LogP-1.01
Rot. Bonds4

About methyl 5-[[(1R,2R,4S)-2-hydroxy-4-(morpholine-4-carbonyl)cyclopentyl]carbamoyl]pyrazine-2-carboxylate

methyl 5-[[(1R,2R,4S)-2-hydroxy-4-(morpholine-4-carbonyl)cyclopentyl]carbamoyl]pyrazine-2-carboxylate (PubChem CID 163304648) has the molecular formula C17H22N4O6 and a molecular weight of 378.39 g/mol. Its IUPAC name is methyl 5-[[(1R,2R,4S)-2-hydroxy-4-(morpholine-4-carbonyl)cyclopentyl]carbamoyl]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(1R,2R,4S)-2-hydroxy-4-(morpholine-4-carbonyl)cyclopentyl]carbamoyl]pyrazine-2-carboxylate
PubChem CID163304648
Molecular FormulaC17H22N4O6
Molecular Weight378.39 g/mol
Exact Mass378.15
IUPAC Namemethyl 5-[[(1R,2R,4S)-2-hydroxy-4-(morpholine-4-carbonyl)cyclopentyl]carbamoyl]pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(C(=O)N[C@@H]2C[C@H](C(=O)N3CCOCC3)C[C@H]2O)cn1
InChIInChI=1S/C17H22N4O6/c1-26-17(25)13-9-18-12(8-19-13)15(23)20-11-6-10(7-14(11)22)16(24)21-2-4-27-5-3-21/h8-11,14,22H,2-7H2,1H3,(H,20,23)/t10-,11+,14+/m0/s1
InChIKeyXQRZMYONVUTCCO-MISXGVKJSA-N
XLogP-1.01
TPSA130.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 5-[[(1R,2R,4S)-2-hydroxy-4-(morpholine-4-carbonyl)cyclopentyl]carbamoyl]pyrazine-2-carboxylate with MolForge

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Related Compounds

5-[5-(2-Methoxyethylcarbamoyl)-2-methylpiperidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120685213
5-[[(1S,3R)-3-(piperidine-1-carbonyl)cyclopentyl]carbamoyl]pyrazine-2-carboxylic acid
CID 121935829
N-(rel-(1S,2S,4S)-4-{[4-(aminocarbonyl)-1-piperidinyl]carbonyl}-2-hydroxycyclopentyl)-2-pyrazinecarboxamide formate
CID 157013648
N-[(1S,2S,4S)-4-(4-carbamoylpiperidine-1-carbonyl)-2-hydroxycyclopentyl]pyrazine-2-carboxamide;formic acid
CID 163340595

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(1R,2R,4S)-2-hydroxy-4-(morpholine-4-carbonyl)cyclopentyl]carbamoyl]pyrazine-2-carboxylate?
The IUPAC name of methyl 5-[[(1R,2R,4S)-2-hydroxy-4-(morpholine-4-carbonyl)cyclopentyl]carbamoyl]pyrazine-2-carboxylate (CID 163304648) is methyl 5-[[(1R,2R,4S)-2-hydroxy-4-(morpholine-4-carbonyl)cyclopentyl]carbamoyl]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-[[(1R,2R,4S)-2-hydroxy-4-(morpholine-4-carbonyl)cyclopentyl]carbamoyl]pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-[[(1R,2R,4S)-2-hydroxy-4-(morpholine-4-carbonyl)cyclopentyl]carbamoyl]pyrazine-2-carboxylate is COC(=O)c1cnc(C(=O)N[C@@H]2C[C@H](C(=O)N3CCOCC3)C[C@H]2O)cn1.
What is the InChIKey of methyl 5-[[(1R,2R,4S)-2-hydroxy-4-(morpholine-4-carbonyl)cyclopentyl]carbamoyl]pyrazine-2-carboxylate?
The InChIKey is XQRZMYONVUTCCO-MISXGVKJSA-N. The full InChI is InChI=1S/C17H22N4O6/c1-26-17(25)13-9-18-12(8-19-13)15(23)20-11-6-10(7-14(11)22)16(24)21-2-4-27-5-3-21/h8-11,14,22H,2-7H2,1H3,(H,20,23)/t10-,11+,14+/m0/s1.
What are the key properties of methyl 5-[[(1R,2R,4S)-2-hydroxy-4-(morpholine-4-carbonyl)cyclopentyl]carbamoyl]pyrazine-2-carboxylate?
methyl 5-[[(1R,2R,4S)-2-hydroxy-4-(morpholine-4-carbonyl)cyclopentyl]carbamoyl]pyrazine-2-carboxylate has a molecular weight of 378.39 g/mol, XLogP of -1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(1R,2R,4S)-2-hydroxy-4-(morpholine-4-carbonyl)cyclopentyl]carbamoyl]pyrazine-2-carboxylate is sourced from PubChem (CID 163304648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).