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

C20H20N4O5 — CID 7097050

IUPAC2-[[(2S)-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]-3-phenylpropanoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C20H20N4O5/c25-17-12-24(16-9-5-4-8-14(16)22-17)20(29)23-15(19(28)21-11-18(26)27)10-13-6-2-1-3-7-13/h1-9,15H,10-12H2,(H,21,28)(H,22,25)(H,23,29)(H,26,27)/t15-/m0/s1
InChIKeyPWZGHKBJHJNUDL-HNNXBMFYSA-N
MW396.40 g/mol
LogP0.97
Rot. Bonds6

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

2-[[(2S)-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]-3-phenylpropanoyl]amino]acetic acid (PubChem CID 7097050) has the molecular formula C20H20N4O5 and a molecular weight of 396.40 g/mol. Its IUPAC name is 2-[[(2S)-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]-3-phenylpropanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(2S)-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]-3-phenylpropanoyl]amino]acetic acid
PubChem CID7097050
Molecular FormulaC20H20N4O5
Molecular Weight396.40 g/mol
Exact Mass396.14
IUPAC Name2-[[(2S)-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]-3-phenylpropanoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C20H20N4O5/c25-17-12-24(16-9-5-4-8-14(16)22-17)20(29)23-15(19(28)21-11-18(26)27)10-13-6-2-1-3-7-13/h1-9,15H,10-12H2,(H,21,28)(H,22,25)(H,23,29)(H,26,27)/t15-/m0/s1
InChIKeyPWZGHKBJHJNUDL-HNNXBMFYSA-N
XLogP0.97
TPSA127.84 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 50.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

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Launch Full Analysis

Related Compounds

3-methyl-2-[[(2S)-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]-3-phenylpropanoyl]amino]butanoic acid
CID 166796022
N-[(2R)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide
CID 51646614
N-[(2S)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxo-3-phenylpropan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide
CID 41008705
(2,5-dioxopyrrolidin-1-yl) 2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]-3-phenylpropanoate
CID 73399671
3-oxo-N-[(2R)-1-oxo-3-phenyl-1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl]-2,4-dihydroquinoxaline-1-carboxamide
CID 51523469
2-[[(2S)-2-[[(2R)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]-3-phenylpropanoyl]amino]acetic acid
CID 40818516
(2S)-4-hydroxy-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]butanoic acid
CID 107825982
2-[[2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]acetyl]amino]propanoic acid
CID 78446048
(2R)-2-[[2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]acetyl]amino]-2-phenylacetic acid
CID 7709245
(2S,3S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoic acid
CID 7647438
2-[[3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]amino]butanedioic acid
CID 73256553
(2S)-2-hydroxy-4-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]butanoic acid
CID 107838228

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]-3-phenylpropanoyl]amino]acetic acid?
The IUPAC name of 2-[[(2S)-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]-3-phenylpropanoyl]amino]acetic acid (CID 7097050) is 2-[[(2S)-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]-3-phenylpropanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[(2S)-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]-3-phenylpropanoyl]amino]acetic acid?
The canonical SMILES for 2-[[(2S)-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]-3-phenylpropanoyl]amino]acetic acid is O=C(O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)N1CC(=O)Nc2ccccc21.
What is the InChIKey of 2-[[(2S)-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]-3-phenylpropanoyl]amino]acetic acid?
The InChIKey is PWZGHKBJHJNUDL-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H20N4O5/c25-17-12-24(16-9-5-4-8-14(16)22-17)20(29)23-15(19(28)21-11-18(26)27)10-13-6-2-1-3-7-13/h1-9,15H,10-12H2,(H,21,28)(H,22,25)(H,23,29)(H,26,27)/t15-/m0/s1.
What are the key properties of 2-[[(2S)-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]-3-phenylpropanoyl]amino]acetic acid?
2-[[(2S)-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]-3-phenylpropanoyl]amino]acetic acid has a molecular weight of 396.40 g/mol, XLogP of 0.97, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]-3-phenylpropanoyl]amino]acetic acid is sourced from PubChem (CID 7097050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).