(2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]propanamide;hydrochloride

C13H17ClN2O2 — CID 119272375

IUPAC(2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]propanamide;hydrochloride
SMILESCC(NC(=O)[C@H](C)N)c1cc2ccccc2o1.Cl
InChIInChI=1S/C13H16N2O2.ClH/c1-8(14)13(16)15-9(2)12-7-10-5-3-4-6-11(10)17-12;/h3-9H,14H2,1-2H3,(H,15,16);1H/t8-,9?;/m0./s1
InChIKeyVQPXXCLEAWWGLK-GUORDYTPSA-N
MW268.74 g/mol
LogP2.38
Rot. Bonds3

About (2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]propanamide;hydrochloride

(2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]propanamide;hydrochloride (PubChem CID 119272375) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]propanamide;hydrochloride
PubChem CID119272375
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name(2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]propanamide;hydrochloride
SMILESCC(NC(=O)[C@H](C)N)c1cc2ccccc2o1.Cl
InChIInChI=1S/C13H16N2O2.ClH/c1-8(14)13(16)15-9(2)12-7-10-5-3-4-6-11(10)17-12;/h3-9H,14H2,1-2H3,(H,15,16);1H/t8-,9?;/m0./s1
InChIKeyVQPXXCLEAWWGLK-GUORDYTPSA-N
XLogP2.38
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-[1-(1-benzofuran-2-yl)ethylamino]-4-oxobutanoic acid
CID 64894336
(2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]pentanamide
CID 107568604
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366962
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366960
3-amino-N-[1-(1-benzofuran-2-yl)ethyl]butanamide
CID 60836169
2-amino-N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylbutanamide
CID 79809165
N-[1-(1-benzofuran-2-yl)ethyl]-2-(3,5-dimethylanilino)propanamide
CID 112811052
2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamoylamino]propanediamide
CID 94056544
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]cyclobutanecarboxamide
CID 9366149
(2R)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 38929440
(2R)-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 38929442
(2S)-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(4-bromophenoxy)propanamide
CID 9367367

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]propanamide;hydrochloride (CID 119272375) is (2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]propanamide;hydrochloride is CC(NC(=O)[C@H](C)N)c1cc2ccccc2o1.Cl.
What is the InChIKey of (2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]propanamide;hydrochloride?
The InChIKey is VQPXXCLEAWWGLK-GUORDYTPSA-N. The full InChI is InChI=1S/C13H16N2O2.ClH/c1-8(14)13(16)15-9(2)12-7-10-5-3-4-6-11(10)17-12;/h3-9H,14H2,1-2H3,(H,15,16);1H/t8-,9?;/m0./s1.
What are the key properties of (2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]propanamide;hydrochloride?
(2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]propanamide;hydrochloride has a molecular weight of 268.74 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]propanamide;hydrochloride is sourced from PubChem (CID 119272375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).