5-amino-3-N-[(2S)-2,3-dihydroxypropyl]benzene-1,3-dicarboxamide

C11H15N3O4 — CID 86337510

IUPAC5-amino-3-N-[(2S)-2,3-dihydroxypropyl]benzene-1,3-dicarboxamide
SMILESNC(=O)c1cc(N)cc(C(=O)NC[C@H](O)CO)c1
InChIInChI=1S/C11H15N3O4/c12-8-2-6(10(13)17)1-7(3-8)11(18)14-4-9(16)5-15/h1-3,9,15-16H,4-5,12H2,(H2,13,17)(H,14,18)/t9-/m0/s1
InChIKeyFUCJOJDLLQGJAY-VIFPVBQESA-N
MW253.26 g/mol
LogP-1.55
Rot. Bonds5

About 5-amino-3-N-[(2S)-2,3-dihydroxypropyl]benzene-1,3-dicarboxamide

5-amino-3-N-[(2S)-2,3-dihydroxypropyl]benzene-1,3-dicarboxamide (PubChem CID 86337510) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 5-amino-3-N-[(2S)-2,3-dihydroxypropyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-amino-3-N-[(2S)-2,3-dihydroxypropyl]benzene-1,3-dicarboxamide
PubChem CID86337510
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name5-amino-3-N-[(2S)-2,3-dihydroxypropyl]benzene-1,3-dicarboxamide
SMILESNC(=O)c1cc(N)cc(C(=O)NC[C@H](O)CO)c1
InChIInChI=1S/C11H15N3O4/c12-8-2-6(10(13)17)1-7(3-8)11(18)14-4-9(16)5-15/h1-3,9,15-16H,4-5,12H2,(H2,13,17)(H,14,18)/t9-/m0/s1
InChIKeyFUCJOJDLLQGJAY-VIFPVBQESA-N
XLogP-1.55
TPSA138.67 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-1.55
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-acetyl-1-N,3-N-bis(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide
CID 153358046
5-acetyl-1-N,3-N-bis(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide;ethane
CID 153358045
1-N,3-N-bis(2,3-dihydroxypropyl)-5-isocyanatobenzene-1,3-dicarboxamide
CID 169352877
N-(2,3-dihydroxypropyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxamide
CID 66177293
[(2R)-2,3-dihydroxypropyl]urea
CID 88558789
5-methyl-3-N-(2-methylpropyl)benzene-1,3-dicarboxamide
CID 91187790
3,5-diamino-N-(2,3-dimethylbutyl)benzamide
CID 64570999
N-(2,3-dihydroxypropyl)pyridine-4-carboxamide
CID 66176252
N-(2,3-dihydroxypropyl)-3,4-difluorobenzamide
CID 66176013
N-(2,3-dihydroxypropyl)-5-methylfuran-3-carboxamide
CID 114821790
N-[(2S)-2,3-dihydroxypropyl]-3-methylbenzamide
CID 40653428
3-(1,2-dihydroxyethyl)-N-(2,3-dihydroxypropyl)-5-nitrobenzamide
CID 18429365

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-N-[(2S)-2,3-dihydroxypropyl]benzene-1,3-dicarboxamide?
The IUPAC name of 5-amino-3-N-[(2S)-2,3-dihydroxypropyl]benzene-1,3-dicarboxamide (CID 86337510) is 5-amino-3-N-[(2S)-2,3-dihydroxypropyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 5-amino-3-N-[(2S)-2,3-dihydroxypropyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 5-amino-3-N-[(2S)-2,3-dihydroxypropyl]benzene-1,3-dicarboxamide is NC(=O)c1cc(N)cc(C(=O)NC[C@H](O)CO)c1.
What is the InChIKey of 5-amino-3-N-[(2S)-2,3-dihydroxypropyl]benzene-1,3-dicarboxamide?
The InChIKey is FUCJOJDLLQGJAY-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15N3O4/c12-8-2-6(10(13)17)1-7(3-8)11(18)14-4-9(16)5-15/h1-3,9,15-16H,4-5,12H2,(H2,13,17)(H,14,18)/t9-/m0/s1.
What are the key properties of 5-amino-3-N-[(2S)-2,3-dihydroxypropyl]benzene-1,3-dicarboxamide?
5-amino-3-N-[(2S)-2,3-dihydroxypropyl]benzene-1,3-dicarboxamide has a molecular weight of 253.26 g/mol, XLogP of -1.55, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-N-[(2S)-2,3-dihydroxypropyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 86337510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).