(2R)-4-carbamoyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid

C10H10N2O4 — CID 30080218

IUPAC(2R)-4-carbamoyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
SMILESNC(=O)N1C[C@H](C(=O)O)Oc2ccccc21
InChIInChI=1S/C10H10N2O4/c11-10(15)12-5-8(9(13)14)16-7-4-2-1-3-6(7)12/h1-4,8H,5H2,(H2,11,15)(H,13,14)/t8-/m1/s1
InChIKeyCGSCJPNEWIFPIP-MRVPVSSYSA-N
MW222.20 g/mol
LogP0.42
Rot. Bonds1

About (2R)-4-carbamoyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid

(2R)-4-carbamoyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid (PubChem CID 30080218) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is (2R)-4-carbamoyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-carbamoyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
PubChem CID30080218
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Name(2R)-4-carbamoyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
SMILESNC(=O)N1C[C@H](C(=O)O)Oc2ccccc21
InChIInChI=1S/C10H10N2O4/c11-10(15)12-5-8(9(13)14)16-7-4-2-1-3-6(7)12/h1-4,8H,5H2,(H2,11,15)(H,13,14)/t8-/m1/s1
InChIKeyCGSCJPNEWIFPIP-MRVPVSSYSA-N
XLogP0.42
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1,4-benzoxazine-2,4-dicarboxylic acid
CID 91423295
4-(2,2,2-trifluoroacetyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
CID 60759878
4-(phenylcarbamoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
CID 16781816
(2S)-4-(phenylcarbamoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
CID 30069315
4-phenylmethoxycarbonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
CID 60726434
4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
CID 62686173
4-but-3-ynoyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
CID 114028461
4-(dimethylaminocarbamoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
CID 83020362
4-(thiomorpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
CID 61200134
4-(5-aminohexanoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
CID 82850277
4-(2-amino-3-methoxypropanoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
CID 81089567
4-(3-aminooxolane-3-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
CID 64892370

Frequently Asked Questions

What is the IUPAC name of (2R)-4-carbamoyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid?
The IUPAC name of (2R)-4-carbamoyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid (CID 30080218) is (2R)-4-carbamoyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-carbamoyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid?
The canonical SMILES for (2R)-4-carbamoyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid is NC(=O)N1C[C@H](C(=O)O)Oc2ccccc21.
What is the InChIKey of (2R)-4-carbamoyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid?
The InChIKey is CGSCJPNEWIFPIP-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H10N2O4/c11-10(15)12-5-8(9(13)14)16-7-4-2-1-3-6(7)12/h1-4,8H,5H2,(H2,11,15)(H,13,14)/t8-/m1/s1.
What are the key properties of (2R)-4-carbamoyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid?
(2R)-4-carbamoyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid has a molecular weight of 222.20 g/mol, XLogP of 0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-carbamoyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid is sourced from PubChem (CID 30080218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).