2-[[(2S)-2-[[(2R)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]-3-phenylpropanoyl]amino]acetic acid

C23H26N4O5 — CID 40818516

IUPAC2-[[(2S)-2-[[(2R)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]-3-phenylpropanoyl]amino]acetic acid
SMILESCC(C)[C@@H]1C(=O)Nc2ccccc2N1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O
InChIInChI=1S/C23H26N4O5/c1-14(2)20-22(31)25-16-10-6-7-11-18(16)27(20)23(32)26-17(21(30)24-13-19(28)29)12-15-8-4-3-5-9-15/h3-11,14,17,20H,12-13H2,1-2H3,(H,24,30)(H,25,31)(H,26,32)(H,28,29)/t17-,20+/m0/s1
InChIKeyNXPBFYJZXGLYMJ-FXAWDEMLSA-N
MW438.48 g/mol
LogP1.99
Rot. Bonds7

About 2-[[(2S)-2-[[(2R)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]-3-phenylpropanoyl]amino]acetic acid

2-[[(2S)-2-[[(2R)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]-3-phenylpropanoyl]amino]acetic acid (PubChem CID 40818516) has the molecular formula C23H26N4O5 and a molecular weight of 438.48 g/mol. Its IUPAC name is 2-[[(2S)-2-[[(2R)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]-3-phenylpropanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(2S)-2-[[(2R)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]-3-phenylpropanoyl]amino]acetic acid
PubChem CID40818516
Molecular FormulaC23H26N4O5
Molecular Weight438.48 g/mol
Exact Mass438.19
IUPAC Name2-[[(2S)-2-[[(2R)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]-3-phenylpropanoyl]amino]acetic acid
SMILESCC(C)[C@@H]1C(=O)Nc2ccccc2N1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O
InChIInChI=1S/C23H26N4O5/c1-14(2)20-22(31)25-16-10-6-7-11-18(16)27(20)23(32)26-17(21(30)24-13-19(28)29)12-15-8-4-3-5-9-15/h3-11,14,17,20H,12-13H2,1-2H3,(H,24,30)(H,25,31)(H,26,32)(H,28,29)/t17-,20+/m0/s1
InChIKeyNXPBFYJZXGLYMJ-FXAWDEMLSA-N
XLogP1.99
TPSA127.84 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 51.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[[(2S)-2-[[(2R)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]-3-phenylpropanoyl]amino]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-[[(2S)-2-[[(2R)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]-3-phenylpropanoyl]amino]propanoic acid
CID 40957853
2-[[(2S)-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]-3-phenylpropanoyl]amino]acetic acid
CID 7097050
(2S,3S)-3-methyl-2-[[(2S)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]pentanoic acid
CID 11920951
2-[[4-methyl-2-[(3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]amino]-4-methylsulfanylbutanoic acid
CID 44667939
(2R)-1-[(2S)-4-methyl-2-[[(2R)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid
CID 27506430
(2S)-3-(1H-indol-3-yl)-2-[[(2R)-3-methyl-2-[[(2S)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]butanoyl]amino]propanoic acid
CID 27506828
2-[[(2S)-3-phenyl-2-(propanoylamino)propanoyl]amino]acetic acid
CID 11265903
3-methyl-2-[[(2S)-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]-3-phenylpropanoyl]amino]butanoic acid
CID 166796022
2-[[(2S)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]acetic acid
CID 71463173
3-[[2-(2-aminopropanoylamino)-3-phenylpropanoyl]amino]-4-(carboxymethylamino)-4-oxobutanoic acid
CID 18237804
2-[[(2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]acetic acid
CID 6992441
2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]-3-phenylpropanoyl]amino]acetic acid
CID 71463169

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-[[(2R)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]-3-phenylpropanoyl]amino]acetic acid?
The IUPAC name of 2-[[(2S)-2-[[(2R)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]-3-phenylpropanoyl]amino]acetic acid (CID 40818516) is 2-[[(2S)-2-[[(2R)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]-3-phenylpropanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[(2S)-2-[[(2R)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]-3-phenylpropanoyl]amino]acetic acid?
The canonical SMILES for 2-[[(2S)-2-[[(2R)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]-3-phenylpropanoyl]amino]acetic acid is CC(C)[C@@H]1C(=O)Nc2ccccc2N1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O.
What is the InChIKey of 2-[[(2S)-2-[[(2R)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]-3-phenylpropanoyl]amino]acetic acid?
The InChIKey is NXPBFYJZXGLYMJ-FXAWDEMLSA-N. The full InChI is InChI=1S/C23H26N4O5/c1-14(2)20-22(31)25-16-10-6-7-11-18(16)27(20)23(32)26-17(21(30)24-13-19(28)29)12-15-8-4-3-5-9-15/h3-11,14,17,20H,12-13H2,1-2H3,(H,24,30)(H,25,31)(H,26,32)(H,28,29)/t17-,20+/m0/s1.
What are the key properties of 2-[[(2S)-2-[[(2R)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]-3-phenylpropanoyl]amino]acetic acid?
2-[[(2S)-2-[[(2R)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]-3-phenylpropanoyl]amino]acetic acid has a molecular weight of 438.48 g/mol, XLogP of 1.99, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-[[(2R)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]-3-phenylpropanoyl]amino]acetic acid is sourced from PubChem (CID 40818516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).