2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carbonyl]amino]acetic acid

C17H16N4O5 — CID 58346019

IUPAC2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc2c(n1)N(C(=O)Nc1ccccc1)CCO2
InChIInChI=1S/C17H16N4O5/c22-14(23)10-18-16(24)12-6-7-13-15(20-12)21(8-9-26-13)17(25)19-11-4-2-1-3-5-11/h1-7H,8-10H2,(H,18,24)(H,19,25)(H,22,23)
InChIKeyUQGRLRUNWSPCSE-UHFFFAOYSA-N
MW356.34 g/mol
LogP1.33
Rot. Bonds4

About 2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carbonyl]amino]acetic acid

2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carbonyl]amino]acetic acid (PubChem CID 58346019) has the molecular formula C17H16N4O5 and a molecular weight of 356.34 g/mol. Its IUPAC name is 2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carbonyl]amino]acetic acid
PubChem CID58346019
Molecular FormulaC17H16N4O5
Molecular Weight356.34 g/mol
Exact Mass356.11
IUPAC Name2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc2c(n1)N(C(=O)Nc1ccccc1)CCO2
InChIInChI=1S/C17H16N4O5/c22-14(23)10-18-16(24)12-6-7-13-15(20-12)21(8-9-26-13)17(25)19-11-4-2-1-3-5-11/h1-7H,8-10H2,(H,18,24)(H,19,25)(H,22,23)
InChIKeyUQGRLRUNWSPCSE-UHFFFAOYSA-N
XLogP1.33
TPSA120.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carbonyl]amino]acetic acid with MolForge

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Related Compounds

6-amino-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 58346194
2-[2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]phenoxy]acetic acid
CID 58346121
2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]benzoic acid
CID 58346037
2-[3-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]phenyl]acetic acid
CID 58346077
6-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]pyridine-3-carboxylic acid
CID 58346095
6-[(E)-2-(4-methoxyphenyl)ethenyl]-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 58346311
tert-butyl 2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carbonyl]amino]acetate
CID 58346279
6-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-N-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 58346084
methyl 3-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzoate
CID 58346088
4-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]butanoic acid
CID 58346104
N-(4-phenoxyphenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 58346245
N-(4-phenylmethoxyphenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 58346268

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carbonyl]amino]acetic acid (CID 58346019) is 2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1ccc2c(n1)N(C(=O)Nc1ccccc1)CCO2.
What is the InChIKey of 2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carbonyl]amino]acetic acid?
The InChIKey is UQGRLRUNWSPCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O5/c22-14(23)10-18-16(24)12-6-7-13-15(20-12)21(8-9-26-13)17(25)19-11-4-2-1-3-5-11/h1-7H,8-10H2,(H,18,24)(H,19,25)(H,22,23).
What are the key properties of 2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carbonyl]amino]acetic acid?
2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carbonyl]amino]acetic acid has a molecular weight of 356.34 g/mol, XLogP of 1.33, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carbonyl]amino]acetic acid is sourced from PubChem (CID 58346019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).