(2R)-2-[[2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]acetyl]amino]-2-phenylacetic acid

C19H18N4O5 — CID 7709245

IUPAC(2R)-2-[[2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]acetyl]amino]-2-phenylacetic acid
SMILESO=C1CN(C(=O)NCC(=O)N[C@@H](C(=O)O)c2ccccc2)c2ccccc2N1
InChIInChI=1S/C19H18N4O5/c24-15(22-17(18(26)27)12-6-2-1-3-7-12)10-20-19(28)23-11-16(25)21-13-8-4-5-9-14(13)23/h1-9,17H,10-11H2,(H,20,28)(H,21,25)(H,22,24)(H,26,27)/t17-/m1/s1
InChIKeyAONUKOCHFUQWGX-QGZVFWFLSA-N
MW382.38 g/mol
LogP1.10
Rot. Bonds5

About (2R)-2-[[2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]acetyl]amino]-2-phenylacetic acid

(2R)-2-[[2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]acetyl]amino]-2-phenylacetic acid (PubChem CID 7709245) has the molecular formula C19H18N4O5 and a molecular weight of 382.38 g/mol. Its IUPAC name is (2R)-2-[[2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]acetyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[[2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]acetyl]amino]-2-phenylacetic acid
PubChem CID7709245
Molecular FormulaC19H18N4O5
Molecular Weight382.38 g/mol
Exact Mass382.13
IUPAC Name(2R)-2-[[2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]acetyl]amino]-2-phenylacetic acid
SMILESO=C1CN(C(=O)NCC(=O)N[C@@H](C(=O)O)c2ccccc2)c2ccccc2N1
InChIInChI=1S/C19H18N4O5/c24-15(22-17(18(26)27)12-6-2-1-3-7-12)10-20-19(28)23-11-16(25)21-13-8-4-5-9-14(13)23/h1-9,17H,10-11H2,(H,20,28)(H,21,25)(H,22,24)(H,26,27)/t17-/m1/s1
InChIKeyAONUKOCHFUQWGX-QGZVFWFLSA-N
XLogP1.10
TPSA127.84 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 51.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]acetyl]amino]-2-phenylacetic acid with MolForge

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Launch Full Analysis

Related Compounds

2-[[2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]acetyl]amino]propanoic acid
CID 78446048
(2S)-2-hydroxy-4-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]butanoic acid
CID 107838228
(2S)-4-hydroxy-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]butanoic acid
CID 107825982
(2S,3S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoic acid
CID 7647438
2-[[(2S)-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]-3-phenylpropanoyl]amino]acetic acid
CID 7097050
2-cyclopropyl-2-[[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]amino]acetic acid
CID 119213630
4-[(2S)-2-(benzhydrylamino)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8596462
2-[[(2S,3S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]amino]acetate
CID 7097593
3-methyl-2-[[3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]amino]butanoic acid
CID 73256497
2,3-dimethyl-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoic acid
CID 103495892
2-hydroxy-N-[3-oxo-3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propyl]acetamide
CID 163261629
3-methyl-2-[[(2S)-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]-3-phenylpropanoyl]amino]butanoic acid
CID 166796022

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]acetyl]amino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[[2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]acetyl]amino]-2-phenylacetic acid (CID 7709245) is (2R)-2-[[2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]acetyl]amino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[[2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]acetyl]amino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[[2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]acetyl]amino]-2-phenylacetic acid is O=C1CN(C(=O)NCC(=O)N[C@@H](C(=O)O)c2ccccc2)c2ccccc2N1.
What is the InChIKey of (2R)-2-[[2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]acetyl]amino]-2-phenylacetic acid?
The InChIKey is AONUKOCHFUQWGX-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H18N4O5/c24-15(22-17(18(26)27)12-6-2-1-3-7-12)10-20-19(28)23-11-16(25)21-13-8-4-5-9-14(13)23/h1-9,17H,10-11H2,(H,20,28)(H,21,25)(H,22,24)(H,26,27)/t17-/m1/s1.
What are the key properties of (2R)-2-[[2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]acetyl]amino]-2-phenylacetic acid?
(2R)-2-[[2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]acetyl]amino]-2-phenylacetic acid has a molecular weight of 382.38 g/mol, XLogP of 1.10, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]acetyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 7709245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).