(2R)-2-amino-N-[2-(2-methoxyethyl)-1,3-benzoxazol-5-yl]propanamide;hydrochloride

C13H18ClN3O3 — CID 119339802

IUPAC(2R)-2-amino-N-[2-(2-methoxyethyl)-1,3-benzoxazol-5-yl]propanamide;hydrochloride
SMILESCOCCc1nc2cc(NC(=O)[C@@H](C)N)ccc2o1.Cl
InChIInChI=1S/C13H17N3O3.ClH/c1-8(14)13(17)15-9-3-4-11-10(7-9)16-12(19-11)5-6-18-2;/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,17);1H/t8-;/m1./s1
InChIKeyDWSBHLDMWBFSEA-DDWIOCJRSA-N
MW299.76 g/mol
LogP1.72
Rot. Bonds5

About (2R)-2-amino-N-[2-(2-methoxyethyl)-1,3-benzoxazol-5-yl]propanamide;hydrochloride

(2R)-2-amino-N-[2-(2-methoxyethyl)-1,3-benzoxazol-5-yl]propanamide;hydrochloride (PubChem CID 119339802) has the molecular formula C13H18ClN3O3 and a molecular weight of 299.76 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-(2-methoxyethyl)-1,3-benzoxazol-5-yl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-(2-methoxyethyl)-1,3-benzoxazol-5-yl]propanamide;hydrochloride
PubChem CID119339802
Molecular FormulaC13H18ClN3O3
Molecular Weight299.76 g/mol
Exact Mass299.10
IUPAC Name(2R)-2-amino-N-[2-(2-methoxyethyl)-1,3-benzoxazol-5-yl]propanamide;hydrochloride
SMILESCOCCc1nc2cc(NC(=O)[C@@H](C)N)ccc2o1.Cl
InChIInChI=1S/C13H17N3O3.ClH/c1-8(14)13(17)15-9-3-4-11-10(7-9)16-12(19-11)5-6-18-2;/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,17);1H/t8-;/m1./s1
InChIKeyDWSBHLDMWBFSEA-DDWIOCJRSA-N
XLogP1.72
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)propanamide;hydrochloride
CID 119290751
3-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-2-methylbutanamide;hydrochloride
CID 120502106
2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 61274155
2-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-3-methylpentanamide
CID 119815470
3-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-2-methoxypropanamide
CID 106111892
2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-methylpentanamide
CID 60944281
3-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-2-methyl-3-phenylpropanamide
CID 119815454
2-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-methoxypropanamide
CID 120985693
2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)butanediamide;hydrochloride
CID 119956615
(2R)-2-amino-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide;dihydrochloride
CID 119842889
3-amino-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide;dihydrochloride
CID 120502568
4-amino-5-[(2-ethyl-1,3-benzoxazol-5-yl)amino]-5-oxopentanoic acid
CID 64888528

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-(2-methoxyethyl)-1,3-benzoxazol-5-yl]propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-[2-(2-methoxyethyl)-1,3-benzoxazol-5-yl]propanamide;hydrochloride (CID 119339802) is (2R)-2-amino-N-[2-(2-methoxyethyl)-1,3-benzoxazol-5-yl]propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[2-(2-methoxyethyl)-1,3-benzoxazol-5-yl]propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-[2-(2-methoxyethyl)-1,3-benzoxazol-5-yl]propanamide;hydrochloride is COCCc1nc2cc(NC(=O)[C@@H](C)N)ccc2o1.Cl.
What is the InChIKey of (2R)-2-amino-N-[2-(2-methoxyethyl)-1,3-benzoxazol-5-yl]propanamide;hydrochloride?
The InChIKey is DWSBHLDMWBFSEA-DDWIOCJRSA-N. The full InChI is InChI=1S/C13H17N3O3.ClH/c1-8(14)13(17)15-9-3-4-11-10(7-9)16-12(19-11)5-6-18-2;/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,17);1H/t8-;/m1./s1.
What are the key properties of (2R)-2-amino-N-[2-(2-methoxyethyl)-1,3-benzoxazol-5-yl]propanamide;hydrochloride?
(2R)-2-amino-N-[2-(2-methoxyethyl)-1,3-benzoxazol-5-yl]propanamide;hydrochloride has a molecular weight of 299.76 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-(2-methoxyethyl)-1,3-benzoxazol-5-yl]propanamide;hydrochloride is sourced from PubChem (CID 119339802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).