5-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-8-hydroxy-1,6-naphthyridine-7-carboxylic acid

C19H16N4O5 — CID 86280627

IUPAC5-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-8-hydroxy-1,6-naphthyridine-7-carboxylic acid
SMILESNC(=O)[C@H](Cc1ccccc1)NC(=O)c1nc(C(=O)O)c(O)c2ncccc12
InChIInChI=1S/C19H16N4O5/c20-17(25)12(9-10-5-2-1-3-6-10)22-18(26)14-11-7-4-8-21-13(11)16(24)15(23-14)19(27)28/h1-8,12,24H,9H2,(H2,20,25)(H,22,26)(H,27,28)/t12-/m0/s1
InChIKeyGEGLMHZKDYBFCA-LBPRGKRZSA-N
MW380.36 g/mol
LogP0.86
Rot. Bonds6

About 5-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-8-hydroxy-1,6-naphthyridine-7-carboxylic acid

5-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-8-hydroxy-1,6-naphthyridine-7-carboxylic acid (PubChem CID 86280627) has the molecular formula C19H16N4O5 and a molecular weight of 380.36 g/mol. Its IUPAC name is 5-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-8-hydroxy-1,6-naphthyridine-7-carboxylic acid.

Molecular Properties

Compound Name5-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-8-hydroxy-1,6-naphthyridine-7-carboxylic acid
PubChem CID86280627
Molecular FormulaC19H16N4O5
Molecular Weight380.36 g/mol
Exact Mass380.11
IUPAC Name5-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-8-hydroxy-1,6-naphthyridine-7-carboxylic acid
SMILESNC(=O)[C@H](Cc1ccccc1)NC(=O)c1nc(C(=O)O)c(O)c2ncccc12
InChIInChI=1S/C19H16N4O5/c20-17(25)12(9-10-5-2-1-3-6-10)22-18(26)14-11-7-4-8-21-13(11)16(24)15(23-14)19(27)28/h1-8,12,24H,9H2,(H2,20,25)(H,22,26)(H,27,28)/t12-/m0/s1
InChIKeyGEGLMHZKDYBFCA-LBPRGKRZSA-N
XLogP0.86
TPSA155.50 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.36
LogP ≤ 50.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate
CID 86280626
5-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-8-hydroxy-7-N-[2-(1H-indol-3-yl)ethyl]-1,6-naphthyridine-5,7-dicarboxamide
CID 86280628
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-(quinolin-8-yloxymethyl)benzamide
CID 5000225
5-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]thiophene-2-carboxylic acid
CID 146128298
(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-phenylpropanoic acid
CID 104741915
ethane;8-hydroxy-7-methoxycarbonyl-1,6-naphthyridine-5-carboxylic acid
CID 142808011
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 68727023
N-[(2R)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]isoquinoline-1-carboxamide
CID 95185467
N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-chloro-6-ethoxypyridine-2-carboxamide
CID 94816376
(2S)-3-phenyl-2-(quinolin-4-ylamino)propanamide
CID 90046746
(2S)-3-phenyl-2-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enoylamino]propanamide
CID 91131589
3-phenyl-2-[[(E)-3-quinolin-4-ylprop-2-enoyl]amino]propanamide
CID 75512130

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-8-hydroxy-1,6-naphthyridine-7-carboxylic acid?
The IUPAC name of 5-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-8-hydroxy-1,6-naphthyridine-7-carboxylic acid (CID 86280627) is 5-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-8-hydroxy-1,6-naphthyridine-7-carboxylic acid.
What is the SMILES notation for 5-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-8-hydroxy-1,6-naphthyridine-7-carboxylic acid?
The canonical SMILES for 5-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-8-hydroxy-1,6-naphthyridine-7-carboxylic acid is NC(=O)[C@H](Cc1ccccc1)NC(=O)c1nc(C(=O)O)c(O)c2ncccc12.
What is the InChIKey of 5-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-8-hydroxy-1,6-naphthyridine-7-carboxylic acid?
The InChIKey is GEGLMHZKDYBFCA-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H16N4O5/c20-17(25)12(9-10-5-2-1-3-6-10)22-18(26)14-11-7-4-8-21-13(11)16(24)15(23-14)19(27)28/h1-8,12,24H,9H2,(H2,20,25)(H,22,26)(H,27,28)/t12-/m0/s1.
What are the key properties of 5-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-8-hydroxy-1,6-naphthyridine-7-carboxylic acid?
5-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-8-hydroxy-1,6-naphthyridine-7-carboxylic acid has a molecular weight of 380.36 g/mol, XLogP of 0.86, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-8-hydroxy-1,6-naphthyridine-7-carboxylic acid is sourced from PubChem (CID 86280627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).