(2S)-4-(phenylcarbamoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid

C16H14N2O4 — CID 30069315

IUPAC(2S)-4-(phenylcarbamoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CN(C(=O)Nc2ccccc2)c2ccccc2O1
InChIInChI=1S/C16H14N2O4/c19-15(20)14-10-18(12-8-4-5-9-13(12)22-14)16(21)17-11-6-2-1-3-7-11/h1-9,14H,10H2,(H,17,21)(H,19,20)/t14-/m0/s1
InChIKeyWPUYTIZUANBMLC-AWEZNQCLSA-N
MW298.30 g/mol
LogP2.57
Rot. Bonds2

About (2S)-4-(phenylcarbamoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid

(2S)-4-(phenylcarbamoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid (PubChem CID 30069315) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is (2S)-4-(phenylcarbamoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-(phenylcarbamoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
PubChem CID30069315
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name(2S)-4-(phenylcarbamoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CN(C(=O)Nc2ccccc2)c2ccccc2O1
InChIInChI=1S/C16H14N2O4/c19-15(20)14-10-18(12-8-4-5-9-13(12)22-14)16(21)17-11-6-2-1-3-7-11/h1-9,14H,10H2,(H,17,21)(H,19,20)/t14-/m0/s1
InChIKeyWPUYTIZUANBMLC-AWEZNQCLSA-N
XLogP2.57
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(phenylcarbamoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
CID 16781816
4-(dimethylaminocarbamoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
CID 83020362
2,3-dihydro-1,4-benzoxazine-2,4-dicarboxylic acid
CID 91423295
4-(1,3,4-thiadiazol-2-ylcarbamoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
CID 61192830
(2R)-4-carbamoyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
CID 30080218
4-acetyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 18104204
4-(2,2,2-trifluoroacetyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
CID 60759878
4-but-3-ynoyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
CID 114028461
4-(thiomorpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
CID 61200134
4-phenylmethoxycarbonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
CID 60726434
4-(5-chlorothiophene-2-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
CID 43242096
4-[2-(azetidin-3-yl)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
CID 64611607

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(phenylcarbamoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid?
The IUPAC name of (2S)-4-(phenylcarbamoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid (CID 30069315) is (2S)-4-(phenylcarbamoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-(phenylcarbamoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid?
The canonical SMILES for (2S)-4-(phenylcarbamoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid is O=C(O)[C@@H]1CN(C(=O)Nc2ccccc2)c2ccccc2O1.
What is the InChIKey of (2S)-4-(phenylcarbamoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid?
The InChIKey is WPUYTIZUANBMLC-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H14N2O4/c19-15(20)14-10-18(12-8-4-5-9-13(12)22-14)16(21)17-11-6-2-1-3-7-11/h1-9,14H,10H2,(H,17,21)(H,19,20)/t14-/m0/s1.
What are the key properties of (2S)-4-(phenylcarbamoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid?
(2S)-4-(phenylcarbamoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid has a molecular weight of 298.30 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(phenylcarbamoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid is sourced from PubChem (CID 30069315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).