2-[(2-carboxy-2-hydroxyethyl)carbamoyl]benzoic acid

C11H11NO6 — CID 151828721

IUPAC2-[(2-carboxy-2-hydroxyethyl)carbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)NCC(O)C(=O)O
InChIInChI=1S/C11H11NO6/c13-8(11(17)18)5-12-9(14)6-3-1-2-4-7(6)10(15)16/h1-4,8,13H,5H2,(H,12,14)(H,15,16)(H,17,18)
InChIKeySEEQJSAHQLHDTQ-UHFFFAOYSA-N
MW253.21 g/mol
LogP-0.44
Rot. Bonds5

About 2-[(2-carboxy-2-hydroxyethyl)carbamoyl]benzoic acid

2-[(2-carboxy-2-hydroxyethyl)carbamoyl]benzoic acid (PubChem CID 151828721) has the molecular formula C11H11NO6 and a molecular weight of 253.21 g/mol. Its IUPAC name is 2-[(2-carboxy-2-hydroxyethyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[(2-carboxy-2-hydroxyethyl)carbamoyl]benzoic acid
PubChem CID151828721
Molecular FormulaC11H11NO6
Molecular Weight253.21 g/mol
Exact Mass253.06
IUPAC Name2-[(2-carboxy-2-hydroxyethyl)carbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)NCC(O)C(=O)O
InChIInChI=1S/C11H11NO6/c13-8(11(17)18)5-12-9(14)6-3-1-2-4-7(6)10(15)16/h1-4,8,13H,5H2,(H,12,14)(H,15,16)(H,17,18)
InChIKeySEEQJSAHQLHDTQ-UHFFFAOYSA-N
XLogP-0.44
TPSA123.93 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.21
LogP ≤ 5-0.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 66165230
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2-[(2-hydroxy-4-methylpentyl)carbamoyl]benzoic acid
CID 107151224
(2S)-3-[(2-ethylsulfonylbenzoyl)amino]-2-hydroxypropanoic acid
CID 107832831
2-[(3-hydroxy-2-methylpropyl)carbamoyl]benzoic acid
CID 65034048
2-hydroxy-3-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
CID 66167281
(2S)-3-[(3-bromo-2-chlorobenzoyl)amino]-2-hydroxypropanoic acid
CID 107833301
(2S)-3-[(2-chloro-3-methylbenzoyl)amino]-2-hydroxypropanoic acid
CID 107833154
2-[2-(2-methylpropanoylamino)ethylcarbamoyl]benzoic acid
CID 60933200
2-(2-cyanopropylcarbamoyl)benzoic acid
CID 62666773
3-(1-benzofuran-3-carbonylamino)-2-hydroxypropanoic acid
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CID 3829688

Frequently Asked Questions

What is the IUPAC name of 2-[(2-carboxy-2-hydroxyethyl)carbamoyl]benzoic acid?
The IUPAC name of 2-[(2-carboxy-2-hydroxyethyl)carbamoyl]benzoic acid (CID 151828721) is 2-[(2-carboxy-2-hydroxyethyl)carbamoyl]benzoic acid.
What is the SMILES notation for 2-[(2-carboxy-2-hydroxyethyl)carbamoyl]benzoic acid?
The canonical SMILES for 2-[(2-carboxy-2-hydroxyethyl)carbamoyl]benzoic acid is O=C(O)c1ccccc1C(=O)NCC(O)C(=O)O.
What is the InChIKey of 2-[(2-carboxy-2-hydroxyethyl)carbamoyl]benzoic acid?
The InChIKey is SEEQJSAHQLHDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO6/c13-8(11(17)18)5-12-9(14)6-3-1-2-4-7(6)10(15)16/h1-4,8,13H,5H2,(H,12,14)(H,15,16)(H,17,18).
What are the key properties of 2-[(2-carboxy-2-hydroxyethyl)carbamoyl]benzoic acid?
2-[(2-carboxy-2-hydroxyethyl)carbamoyl]benzoic acid has a molecular weight of 253.21 g/mol, XLogP of -0.44, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-carboxy-2-hydroxyethyl)carbamoyl]benzoic acid is sourced from PubChem (CID 151828721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).