(2R)-2-amino-3-hydroxy-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propanamide

C11H20N4O2 — CID 90095417

IUPAC(2R)-2-amino-3-hydroxy-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propanamide
SMILESCN(CCCc1nccn1C)C(=O)[C@H](N)CO
InChIInChI=1S/C11H20N4O2/c1-14-7-5-13-10(14)4-3-6-15(2)11(17)9(12)8-16/h5,7,9,16H,3-4,6,8,12H2,1-2H3/t9-/m1/s1
InChIKeyGWVOSKDBNVDLMT-SECBINFHSA-N
MW240.31 g/mol
LogP-0.87
Rot. Bonds6

About (2R)-2-amino-3-hydroxy-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propanamide

(2R)-2-amino-3-hydroxy-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propanamide (PubChem CID 90095417) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is (2R)-2-amino-3-hydroxy-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-hydroxy-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propanamide
PubChem CID90095417
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name(2R)-2-amino-3-hydroxy-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propanamide
SMILESCN(CCCc1nccn1C)C(=O)[C@H](N)CO
InChIInChI=1S/C11H20N4O2/c1-14-7-5-13-10(14)4-3-6-15(2)11(17)9(12)8-16/h5,7,9,16H,3-4,6,8,12H2,1-2H3/t9-/m1/s1
InChIKeyGWVOSKDBNVDLMT-SECBINFHSA-N
XLogP-0.87
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-hydroxy-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propanamide?
The IUPAC name of (2R)-2-amino-3-hydroxy-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propanamide (CID 90095417) is (2R)-2-amino-3-hydroxy-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propanamide.
What is the SMILES notation for (2R)-2-amino-3-hydroxy-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propanamide?
The canonical SMILES for (2R)-2-amino-3-hydroxy-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propanamide is CN(CCCc1nccn1C)C(=O)[C@H](N)CO.
What is the InChIKey of (2R)-2-amino-3-hydroxy-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propanamide?
The InChIKey is GWVOSKDBNVDLMT-SECBINFHSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-14-7-5-13-10(14)4-3-6-15(2)11(17)9(12)8-16/h5,7,9,16H,3-4,6,8,12H2,1-2H3/t9-/m1/s1.
What are the key properties of (2R)-2-amino-3-hydroxy-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propanamide?
(2R)-2-amino-3-hydroxy-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propanamide has a molecular weight of 240.31 g/mol, XLogP of -0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-hydroxy-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propanamide is sourced from PubChem (CID 90095417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).