3-[[(3-amino-2-hydroxy-3-oxopropyl)amino]methyl]benzamide

C11H15N3O3 — CID 114153512

IUPAC3-[[(3-amino-2-hydroxy-3-oxopropyl)amino]methyl]benzamide
SMILESNC(=O)c1cccc(CNCC(O)C(N)=O)c1
InChIInChI=1S/C11H15N3O3/c12-10(16)8-3-1-2-7(4-8)5-14-6-9(15)11(13)17/h1-4,9,14-15H,5-6H2,(H2,12,16)(H2,13,17)
InChIKeyQOBDCZUCBRMQFI-UHFFFAOYSA-N
MW237.26 g/mol
LogP-1.28
Rot. Bonds6

About 3-[[(3-amino-2-hydroxy-3-oxopropyl)amino]methyl]benzamide

3-[[(3-amino-2-hydroxy-3-oxopropyl)amino]methyl]benzamide (PubChem CID 114153512) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-[[(3-amino-2-hydroxy-3-oxopropyl)amino]methyl]benzamide.

Molecular Properties

Compound Name3-[[(3-amino-2-hydroxy-3-oxopropyl)amino]methyl]benzamide
PubChem CID114153512
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name3-[[(3-amino-2-hydroxy-3-oxopropyl)amino]methyl]benzamide
SMILESNC(=O)c1cccc(CNCC(O)C(N)=O)c1
InChIInChI=1S/C11H15N3O3/c12-10(16)8-3-1-2-7(4-8)5-14-6-9(15)11(13)17/h1-4,9,14-15H,5-6H2,(H2,12,16)(H2,13,17)
InChIKeyQOBDCZUCBRMQFI-UHFFFAOYSA-N
XLogP-1.28
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-1.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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3-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]benzamide
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3-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-[[(3-amino-2-hydroxy-3-oxopropyl)amino]methyl]benzamide?
The IUPAC name of 3-[[(3-amino-2-hydroxy-3-oxopropyl)amino]methyl]benzamide (CID 114153512) is 3-[[(3-amino-2-hydroxy-3-oxopropyl)amino]methyl]benzamide.
What is the SMILES notation for 3-[[(3-amino-2-hydroxy-3-oxopropyl)amino]methyl]benzamide?
The canonical SMILES for 3-[[(3-amino-2-hydroxy-3-oxopropyl)amino]methyl]benzamide is NC(=O)c1cccc(CNCC(O)C(N)=O)c1.
What is the InChIKey of 3-[[(3-amino-2-hydroxy-3-oxopropyl)amino]methyl]benzamide?
The InChIKey is QOBDCZUCBRMQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c12-10(16)8-3-1-2-7(4-8)5-14-6-9(15)11(13)17/h1-4,9,14-15H,5-6H2,(H2,12,16)(H2,13,17).
What are the key properties of 3-[[(3-amino-2-hydroxy-3-oxopropyl)amino]methyl]benzamide?
3-[[(3-amino-2-hydroxy-3-oxopropyl)amino]methyl]benzamide has a molecular weight of 237.26 g/mol, XLogP of -1.28, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-amino-2-hydroxy-3-oxopropyl)amino]methyl]benzamide is sourced from PubChem (CID 114153512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).