2-aminopropanoic acid;1-benzothiophene;2-(pyridin-2-ylamino)propanoic acid

C19H23N3O4S — CID 174859044

IUPAC2-aminopropanoic acid;1-benzothiophene;2-(pyridin-2-ylamino)propanoic acid
SMILESCC(N)C(=O)O.CC(Nc1ccccn1)C(=O)O.c1ccc2sccc2c1
InChIInChI=1S/C8H10N2O2.C8H6S.C3H7NO2/c1-6(8(11)12)10-7-4-2-3-5-9-7;1-2-4-8-7(3-1)5-6-9-8;1-2(4)3(5)6/h2-6H,1H3,(H,9,10)(H,11,12);1-6H;2H,4H2,1H3,(H,5,6)
InChIKeyPYADLDJJFJHOKY-UHFFFAOYSA-N
MW389.48 g/mol
LogP3.29
Rot. Bonds4

About 2-aminopropanoic acid;1-benzothiophene;2-(pyridin-2-ylamino)propanoic acid

2-aminopropanoic acid;1-benzothiophene;2-(pyridin-2-ylamino)propanoic acid (PubChem CID 174859044) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 2-aminopropanoic acid;1-benzothiophene;2-(pyridin-2-ylamino)propanoic acid.

Molecular Properties

Compound Name2-aminopropanoic acid;1-benzothiophene;2-(pyridin-2-ylamino)propanoic acid
PubChem CID174859044
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name2-aminopropanoic acid;1-benzothiophene;2-(pyridin-2-ylamino)propanoic acid
SMILESCC(N)C(=O)O.CC(Nc1ccccn1)C(=O)O.c1ccc2sccc2c1
InChIInChI=1S/C8H10N2O2.C8H6S.C3H7NO2/c1-6(8(11)12)10-7-4-2-3-5-9-7;1-2-4-8-7(3-1)5-6-9-8;1-2(4)3(5)6/h2-6H,1H3,(H,9,10)(H,11,12);1-6H;2H,4H2,1H3,(H,5,6)
InChIKeyPYADLDJJFJHOKY-UHFFFAOYSA-N
XLogP3.29
TPSA125.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 53.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-(pyridin-2-ylamino)propanoic acid;hydrate;dihydrochloride
CID 70348749
(2R)-2-amino-3-pyridin-2-ylpropanoic acid;(2S)-2-(pyridin-2-ylamino)propanoic acid
CID 67254452
(2R,3S)-2-amino-3-(pyridin-2-ylamino)butanoic acid
CID 118492943
1-benzothiophene;propan-2-amine
CID 67916286
N-methyl-2-(pyridin-2-ylamino)propanamide
CID 61464552
2-(1-benzothiophen-5-ylamino)propanoic acid
CID 65475467
1-benzothiophene
CID 175697738
1-benzothiophene;4-methoxy-4-oxobut-2-enoic acid
CID 175206367
1-(pyridin-2-ylamino)ethanol
CID 20521375
methyl 3-hydroxy-2-(pyridin-2-ylamino)propanoate
CID 62005676
(2S)-2-[[2-(dimethylamino)pyrimidin-4-yl]amino]propanoic acid
CID 122049427
2-amino-4-oxo-4-(pyridin-2-ylamino)butanoic acid
CID 115180971

Frequently Asked Questions

What is the IUPAC name of 2-aminopropanoic acid;1-benzothiophene;2-(pyridin-2-ylamino)propanoic acid?
The IUPAC name of 2-aminopropanoic acid;1-benzothiophene;2-(pyridin-2-ylamino)propanoic acid (CID 174859044) is 2-aminopropanoic acid;1-benzothiophene;2-(pyridin-2-ylamino)propanoic acid.
What is the SMILES notation for 2-aminopropanoic acid;1-benzothiophene;2-(pyridin-2-ylamino)propanoic acid?
The canonical SMILES for 2-aminopropanoic acid;1-benzothiophene;2-(pyridin-2-ylamino)propanoic acid is CC(N)C(=O)O.CC(Nc1ccccn1)C(=O)O.c1ccc2sccc2c1.
What is the InChIKey of 2-aminopropanoic acid;1-benzothiophene;2-(pyridin-2-ylamino)propanoic acid?
The InChIKey is PYADLDJJFJHOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2.C8H6S.C3H7NO2/c1-6(8(11)12)10-7-4-2-3-5-9-7;1-2-4-8-7(3-1)5-6-9-8;1-2(4)3(5)6/h2-6H,1H3,(H,9,10)(H,11,12);1-6H;2H,4H2,1H3,(H,5,6).
What are the key properties of 2-aminopropanoic acid;1-benzothiophene;2-(pyridin-2-ylamino)propanoic acid?
2-aminopropanoic acid;1-benzothiophene;2-(pyridin-2-ylamino)propanoic acid has a molecular weight of 389.48 g/mol, XLogP of 3.29, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopropanoic acid;1-benzothiophene;2-(pyridin-2-ylamino)propanoic acid is sourced from PubChem (CID 174859044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).