(2R)-2-amino-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide;dihydrochloride

C11H15Cl2N3O2 — CID 119842889

IUPAC(2R)-2-amino-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide;dihydrochloride
SMILESCc1nc2ccc(NC(=O)[C@@H](C)N)cc2o1.Cl.Cl
InChIInChI=1S/C11H13N3O2.2ClH/c1-6(12)11(15)14-8-3-4-9-10(5-8)16-7(2)13-9;;/h3-6H,12H2,1-2H3,(H,14,15);2*1H/t6-;;/m1../s1
InChIKeyDYQAHMKSJBUMDF-QYCVXMPOSA-N
MW292.17 g/mol
LogP2.27
Rot. Bonds2

About (2R)-2-amino-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide;dihydrochloride

(2R)-2-amino-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide;dihydrochloride (PubChem CID 119842889) has the molecular formula C11H15Cl2N3O2 and a molecular weight of 292.17 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide;dihydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide;dihydrochloride
PubChem CID119842889
Molecular FormulaC11H15Cl2N3O2
Molecular Weight292.17 g/mol
Exact Mass291.05
IUPAC Name(2R)-2-amino-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide;dihydrochloride
SMILESCc1nc2ccc(NC(=O)[C@@H](C)N)cc2o1.Cl.Cl
InChIInChI=1S/C11H13N3O2.2ClH/c1-6(12)11(15)14-8-3-4-9-10(5-8)16-7(2)13-9;;/h3-6H,12H2,1-2H3,(H,14,15);2*1H/t6-;;/m1../s1
InChIKeyDYQAHMKSJBUMDF-QYCVXMPOSA-N
XLogP2.27
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-amino-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 61274155
2-amino-3-[(2-methyl-1,3-benzoxazol-6-yl)amino]-3-oxopropanoic acid
CID 115179128
2-methyl-3-(methylamino)-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide;dihydrochloride
CID 119842897
3-amino-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide;dihydrochloride
CID 120502568
N-(2-methyl-1,3-benzoxazol-6-yl)carbamoyl bromide
CID 115193310
(2S)-2-amino-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide
CID 61274361
2-hydroxy-N-(2-methyl-1,3-benzoxazol-6-yl)-2-phenylacetamide
CID 111536513
2-bromo-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 107903105
2,2-dimethyl-3-[(2-methyl-1,3-benzoxazol-6-yl)amino]-3-oxopropanoic acid
CID 115163948
3,3,3-trifluoro-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide
CID 86924240
(2S)-2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)propanamide;hydrochloride
CID 119290751
4-amino-3,3-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide
CID 115157214

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide;dihydrochloride?
The IUPAC name of (2R)-2-amino-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide;dihydrochloride (CID 119842889) is (2R)-2-amino-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide;dihydrochloride.
What is the SMILES notation for (2R)-2-amino-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide;dihydrochloride?
The canonical SMILES for (2R)-2-amino-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide;dihydrochloride is Cc1nc2ccc(NC(=O)[C@@H](C)N)cc2o1.Cl.Cl.
What is the InChIKey of (2R)-2-amino-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide;dihydrochloride?
The InChIKey is DYQAHMKSJBUMDF-QYCVXMPOSA-N. The full InChI is InChI=1S/C11H13N3O2.2ClH/c1-6(12)11(15)14-8-3-4-9-10(5-8)16-7(2)13-9;;/h3-6H,12H2,1-2H3,(H,14,15);2*1H/t6-;;/m1../s1.
What are the key properties of (2R)-2-amino-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide;dihydrochloride?
(2R)-2-amino-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide;dihydrochloride has a molecular weight of 292.17 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide;dihydrochloride is sourced from PubChem (CID 119842889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).