N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-1H-imidazole-5-carboxamide

C11H16N4O4 — CID 6722758

IUPACN-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-1H-imidazole-5-carboxamide
SMILESO=C(N[C@@H](CO)C(=O)N1CCOCC1)c1cnc[nH]1
InChIInChI=1S/C11H16N4O4/c16-6-9(11(18)15-1-3-19-4-2-15)14-10(17)8-5-12-7-13-8/h5,7,9,16H,1-4,6H2,(H,12,13)(H,14,17)/t9-/m0/s1
InChIKeyWBLXFJVGMSDBRA-VIFPVBQESA-N
MW268.27 g/mol
LogP-1.64
Rot. Bonds4

About N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-1H-imidazole-5-carboxamide

N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-1H-imidazole-5-carboxamide (PubChem CID 6722758) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-1H-imidazole-5-carboxamide
PubChem CID6722758
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC NameN-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-1H-imidazole-5-carboxamide
SMILESO=C(N[C@@H](CO)C(=O)N1CCOCC1)c1cnc[nH]1
InChIInChI=1S/C11H16N4O4/c16-6-9(11(18)15-1-3-19-4-2-15)14-10(17)8-5-12-7-13-8/h5,7,9,16H,1-4,6H2,(H,12,13)(H,14,17)/t9-/m0/s1
InChIKeyWBLXFJVGMSDBRA-VIFPVBQESA-N
XLogP-1.64
TPSA107.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-1.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-1H-imidazole-5-carboxamide (CID 6722758) is N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-1H-imidazole-5-carboxamide is O=C(N[C@@H](CO)C(=O)N1CCOCC1)c1cnc[nH]1.
What is the InChIKey of N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-1H-imidazole-5-carboxamide?
The InChIKey is WBLXFJVGMSDBRA-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16N4O4/c16-6-9(11(18)15-1-3-19-4-2-15)14-10(17)8-5-12-7-13-8/h5,7,9,16H,1-4,6H2,(H,12,13)(H,14,17)/t9-/m0/s1.
What are the key properties of N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-1H-imidazole-5-carboxamide?
N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-1H-imidazole-5-carboxamide has a molecular weight of 268.27 g/mol, XLogP of -1.64, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 6722758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).