(2S)-2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide

C11H16N2O2 — CID 61274318

IUPAC(2S)-2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide
SMILESC[C@H](N)C(=O)NC1CCCc2occc21
InChIInChI=1S/C11H16N2O2/c1-7(12)11(14)13-9-3-2-4-10-8(9)5-6-15-10/h5-7,9H,2-4,12H2,1H3,(H,13,14)/t7-,9?/m0/s1
InChIKeyDJFVSPYEZKRCQR-JAVCKPHESA-N
MW208.26 g/mol
LogP1.12
Rot. Bonds2

About (2S)-2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide

(2S)-2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide (PubChem CID 61274318) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (2S)-2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide
PubChem CID61274318
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(2S)-2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide
SMILESC[C@H](N)C(=O)NC1CCCc2occc21
InChIInChI=1S/C11H16N2O2/c1-7(12)11(14)13-9-3-2-4-10-8(9)5-6-15-10/h5-7,9H,2-4,12H2,1H3,(H,13,14)/t7-,9?/m0/s1
InChIKeyDJFVSPYEZKRCQR-JAVCKPHESA-N
XLogP1.12
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pentanamide
CID 61273758
2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pentanamide
CID 61273942
2-amino-4-methoxy-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide
CID 62477129
2-(butan-2-ylamino)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
CID 61273578
2-methylsulfanyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 42949896
2-(2-bromo-4-fluorophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide
CID 78872855
4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 120672796
3-propan-2-yl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,2-oxazole-5-carboxamide
CID 71931313
1-(2-hydroxycyclohexyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 110933290
1-phenyl-3-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]urea
CID 941313
4-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)oxane-4-carboxamide
CID 115294623
2,4,5-trimethyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]furan-3-carboxamide
CID 95383153

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide?
The IUPAC name of (2S)-2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide (CID 61274318) is (2S)-2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide is C[C@H](N)C(=O)NC1CCCc2occc21.
What is the InChIKey of (2S)-2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide?
The InChIKey is DJFVSPYEZKRCQR-JAVCKPHESA-N. The full InChI is InChI=1S/C11H16N2O2/c1-7(12)11(14)13-9-3-2-4-10-8(9)5-6-15-10/h5-7,9H,2-4,12H2,1H3,(H,13,14)/t7-,9?/m0/s1.
What are the key properties of (2S)-2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide?
(2S)-2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide has a molecular weight of 208.26 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide is sourced from PubChem (CID 61274318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).