(2S)-2-amino-3-[4-[5-(furan-3-ylmethylamino)pyrazin-2-yl]phenyl]propanoic acid

C18H18N4O3 — CID 24894404

IUPAC(2S)-2-amino-3-[4-[5-(furan-3-ylmethylamino)pyrazin-2-yl]phenyl]propanoic acid
SMILESN[C@@H](Cc1ccc(-c2cnc(NCc3ccoc3)cn2)cc1)C(=O)O
InChIInChI=1S/C18H18N4O3/c19-15(18(23)24)7-12-1-3-14(4-2-12)16-9-22-17(10-20-16)21-8-13-5-6-25-11-13/h1-6,9-11,15H,7-8,19H2,(H,21,22)(H,23,24)/t15-/m0/s1
InChIKeyHYQZBTQOPVVOQX-HNNXBMFYSA-N
MW338.37 g/mol
LogP2.30
Rot. Bonds7

About (2S)-2-amino-3-[4-[5-(furan-3-ylmethylamino)pyrazin-2-yl]phenyl]propanoic acid

(2S)-2-amino-3-[4-[5-(furan-3-ylmethylamino)pyrazin-2-yl]phenyl]propanoic acid (PubChem CID 24894404) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is (2S)-2-amino-3-[4-[5-(furan-3-ylmethylamino)pyrazin-2-yl]phenyl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[4-[5-(furan-3-ylmethylamino)pyrazin-2-yl]phenyl]propanoic acid
PubChem CID24894404
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name(2S)-2-amino-3-[4-[5-(furan-3-ylmethylamino)pyrazin-2-yl]phenyl]propanoic acid
SMILESN[C@@H](Cc1ccc(-c2cnc(NCc3ccoc3)cn2)cc1)C(=O)O
InChIInChI=1S/C18H18N4O3/c19-15(18(23)24)7-12-1-3-14(4-2-12)16-9-22-17(10-20-16)21-8-13-5-6-25-11-13/h1-6,9-11,15H,7-8,19H2,(H,21,22)(H,23,24)/t15-/m0/s1
InChIKeyHYQZBTQOPVVOQX-HNNXBMFYSA-N
XLogP2.30
TPSA114.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-(aminomethyl)phenyl]-6-[4-(furan-3-yl)phenyl]-N-[(piperidin-4-yl)methyl]pyrazin-2-amine
CID 138320060
(2S)-3-[4-[4-[[(4-methyl-2-pyridinyl)amino]methyl]furan-2-yl]phenyl]-2-[(2,4,6-trimethylbenzoyl)amino]propanoic acid
CID 46226903
4-[3-amino-6-(furan-3-yl)pyrazin-2-yl]-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 118045830
3-[4-(aminomethyl)phenyl]-N-[4-(furan-3-yl)phenyl]-6-(piperidin-4-ylmethylamino)pyrazine-2-carboxamide
CID 164619300
5-[4-(aminomethyl)phenyl]-6-[2-fluoro-4-(furan-3-yl)phenyl]-N-(piperidin-4-ylmethyl)pyrazin-2-amine
CID 164622489
3,5-di(furan-2-yl)-N-methyl-3H-pyrido[2,3-e][1,4]diazepin-2-amine
CID 135422324
2-(3-Furylmethylamino)-6-(3-acetamidophenyl)pyrazine
CID 11645222
3-amino-N-(diaminomethylidene)-5-[3-(furan-3-yl)phenyl]pyrazine-2-carboxamide
CID 44575100
3-Fluoro-N-(6-{4-[(furan-3-YL)methyl]piperazin-1-YL}pyridin-3-YL)benzamide
CID 46053706
4-fluoro-N-[6-[4-(furan-3-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]benzamide
CID 46053795
[2-[3-(Furan-2-ylmethylamino)pyrazin-2-yl]phenyl]methanol
CID 132453933
4-[3-(Furan-2-ylmethylamino)pyrazin-2-yl]phenol
CID 137154181

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[4-[5-(furan-3-ylmethylamino)pyrazin-2-yl]phenyl]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[4-[5-(furan-3-ylmethylamino)pyrazin-2-yl]phenyl]propanoic acid (CID 24894404) is (2S)-2-amino-3-[4-[5-(furan-3-ylmethylamino)pyrazin-2-yl]phenyl]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[4-[5-(furan-3-ylmethylamino)pyrazin-2-yl]phenyl]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[4-[5-(furan-3-ylmethylamino)pyrazin-2-yl]phenyl]propanoic acid is N[C@@H](Cc1ccc(-c2cnc(NCc3ccoc3)cn2)cc1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-[4-[5-(furan-3-ylmethylamino)pyrazin-2-yl]phenyl]propanoic acid?
The InChIKey is HYQZBTQOPVVOQX-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H18N4O3/c19-15(18(23)24)7-12-1-3-14(4-2-12)16-9-22-17(10-20-16)21-8-13-5-6-25-11-13/h1-6,9-11,15H,7-8,19H2,(H,21,22)(H,23,24)/t15-/m0/s1.
What are the key properties of (2S)-2-amino-3-[4-[5-(furan-3-ylmethylamino)pyrazin-2-yl]phenyl]propanoic acid?
(2S)-2-amino-3-[4-[5-(furan-3-ylmethylamino)pyrazin-2-yl]phenyl]propanoic acid has a molecular weight of 338.37 g/mol, XLogP of 2.30, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[4-[5-(furan-3-ylmethylamino)pyrazin-2-yl]phenyl]propanoic acid is sourced from PubChem (CID 24894404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).