(3R)-3-(furan-2-ylmethylazaniumyl)-4-(naphthalen-2-ylamino)-4-oxobutanoate

C19H18N2O4 — CID 7439600

IUPAC(3R)-3-(furan-2-ylmethylazaniumyl)-4-(naphthalen-2-ylamino)-4-oxobutanoate
SMILESO=C([O-])C[C@@H]([NH2+]Cc1ccco1)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C19H18N2O4/c22-18(23)11-17(20-12-16-6-3-9-25-16)19(24)21-15-8-7-13-4-1-2-5-14(13)10-15/h1-10,17,20H,11-12H2,(H,21,24)(H,22,23)/t17-/m1/s1
InChIKeyDHWSGDNAYWAWOV-QGZVFWFLSA-N
MW338.36 g/mol
LogP0.64
Rot. Bonds7

About (3R)-3-(furan-2-ylmethylazaniumyl)-4-(naphthalen-2-ylamino)-4-oxobutanoate

(3R)-3-(furan-2-ylmethylazaniumyl)-4-(naphthalen-2-ylamino)-4-oxobutanoate (PubChem CID 7439600) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is (3R)-3-(furan-2-ylmethylazaniumyl)-4-(naphthalen-2-ylamino)-4-oxobutanoate.

Molecular Properties

Compound Name(3R)-3-(furan-2-ylmethylazaniumyl)-4-(naphthalen-2-ylamino)-4-oxobutanoate
PubChem CID7439600
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name(3R)-3-(furan-2-ylmethylazaniumyl)-4-(naphthalen-2-ylamino)-4-oxobutanoate
SMILESO=C([O-])C[C@@H]([NH2+]Cc1ccco1)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C19H18N2O4/c22-18(23)11-17(20-12-16-6-3-9-25-16)19(24)21-15-8-7-13-4-1-2-5-14(13)10-15/h1-10,17,20H,11-12H2,(H,21,24)(H,22,23)/t17-/m1/s1
InChIKeyDHWSGDNAYWAWOV-QGZVFWFLSA-N
XLogP0.64
TPSA98.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-3-(furan-2-ylmethylazaniumyl)-4-(naphthalen-2-ylamino)-4-oxobutanoate with MolForge

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Related Compounds

(3R)-4-(4-chloroanilino)-3-(furan-2-ylmethylazaniumyl)-4-oxobutanoate
CID 7320147
4-(4-chloroanilino)-3-(furan-2-ylmethylazaniumyl)-4-oxobutanoate
CID 4918988
(3S)-4-(2-bromoanilino)-3-(furan-2-ylmethylazaniumyl)-4-oxobutanoate
CID 7439560
(3R)-4-(4-ethoxycarbonylanilino)-3-(furan-2-ylmethylazaniumyl)-4-oxobutanoate
CID 6963885
(3S)-3-(furan-2-ylmethylazaniumyl)-4-(N-methylanilino)-4-oxobutanoate
CID 7460513
4-(3-aminoanilino)-3-(benzylazaniumyl)-4-oxobutanoate
CID 4920013
(2-chlorophenyl)methyl-[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]azanium
CID 7999379
furan-2-ylmethyl-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]azanium
CID 9466817
[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-(furan-2-ylmethyl)azanium
CID 7986750
[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] furan-2-carboxylate
CID 7814374
(2R)-4-(2-ethyl-6-methylanilino)-2-(furan-2-ylmethylazaniumyl)-4-oxobutanoate
CID 2140680
N-[(2S)-3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]furan-2-carboxamide
CID 9138688

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(furan-2-ylmethylazaniumyl)-4-(naphthalen-2-ylamino)-4-oxobutanoate?
The IUPAC name of (3R)-3-(furan-2-ylmethylazaniumyl)-4-(naphthalen-2-ylamino)-4-oxobutanoate (CID 7439600) is (3R)-3-(furan-2-ylmethylazaniumyl)-4-(naphthalen-2-ylamino)-4-oxobutanoate.
What is the SMILES notation for (3R)-3-(furan-2-ylmethylazaniumyl)-4-(naphthalen-2-ylamino)-4-oxobutanoate?
The canonical SMILES for (3R)-3-(furan-2-ylmethylazaniumyl)-4-(naphthalen-2-ylamino)-4-oxobutanoate is O=C([O-])C[C@@H]([NH2+]Cc1ccco1)C(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of (3R)-3-(furan-2-ylmethylazaniumyl)-4-(naphthalen-2-ylamino)-4-oxobutanoate?
The InChIKey is DHWSGDNAYWAWOV-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H18N2O4/c22-18(23)11-17(20-12-16-6-3-9-25-16)19(24)21-15-8-7-13-4-1-2-5-14(13)10-15/h1-10,17,20H,11-12H2,(H,21,24)(H,22,23)/t17-/m1/s1.
What are the key properties of (3R)-3-(furan-2-ylmethylazaniumyl)-4-(naphthalen-2-ylamino)-4-oxobutanoate?
(3R)-3-(furan-2-ylmethylazaniumyl)-4-(naphthalen-2-ylamino)-4-oxobutanoate has a molecular weight of 338.36 g/mol, XLogP of 0.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(furan-2-ylmethylazaniumyl)-4-(naphthalen-2-ylamino)-4-oxobutanoate is sourced from PubChem (CID 7439600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).