2-[N-[bis(2-hydroxyethyl)carbamoyl]-4-hydroxyanilino]acetic acid

C13H18N2O6 — CID 61235432

IUPAC2-[N-[bis(2-hydroxyethyl)carbamoyl]-4-hydroxyanilino]acetic acid
SMILESO=C(O)CN(C(=O)N(CCO)CCO)c1ccc(O)cc1
InChIInChI=1S/C13H18N2O6/c16-7-5-14(6-8-17)13(21)15(9-12(19)20)10-1-3-11(18)4-2-10/h1-4,16-18H,5-9H2,(H,19,20)
InChIKeyWUBMBAKWLJWCCJ-UHFFFAOYSA-N
MW298.29 g/mol
LogP-0.31
Rot. Bonds7

About 2-[N-[bis(2-hydroxyethyl)carbamoyl]-4-hydroxyanilino]acetic acid

2-[N-[bis(2-hydroxyethyl)carbamoyl]-4-hydroxyanilino]acetic acid (PubChem CID 61235432) has the molecular formula C13H18N2O6 and a molecular weight of 298.29 g/mol. Its IUPAC name is 2-[N-[bis(2-hydroxyethyl)carbamoyl]-4-hydroxyanilino]acetic acid.

Molecular Properties

Compound Name2-[N-[bis(2-hydroxyethyl)carbamoyl]-4-hydroxyanilino]acetic acid
PubChem CID61235432
Molecular FormulaC13H18N2O6
Molecular Weight298.29 g/mol
Exact Mass298.12
IUPAC Name2-[N-[bis(2-hydroxyethyl)carbamoyl]-4-hydroxyanilino]acetic acid
SMILESO=C(O)CN(C(=O)N(CCO)CCO)c1ccc(O)cc1
InChIInChI=1S/C13H18N2O6/c16-7-5-14(6-8-17)13(21)15(9-12(19)20)10-1-3-11(18)4-2-10/h1-4,16-18H,5-9H2,(H,19,20)
InChIKeyWUBMBAKWLJWCCJ-UHFFFAOYSA-N
XLogP-0.31
TPSA121.54 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 5-0.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-(N-carboxy-4-hydroxyanilino)acetic acid
CID 66615587
2-(N-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]anilino)acetic acid
CID 107481830
2-[N-(diethylcarbamoyl)-4-methylanilino]acetic acid
CID 61186783
2-(4-hydroxy-N-[propan-2-yl(propyl)carbamoyl]anilino)acetic acid
CID 61195838
2-[N-(diethylcarbamoyl)anilino]acetic acid
CID 61187149
2-(N-[butan-2-yl(methyl)carbamoyl]-4-hydroxyanilino)acetic acid
CID 61194384
2-(N-[cyclopropyl(ethyl)carbamoyl]-4-hydroxyanilino)acetic acid
CID 61194308
2-(4-hydroxy-N-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]anilino)acetic acid
CID 63860770
(3S)-3-amino-4-[4-hydroxy-N-(2-hydroxyethyl)anilino]-4-oxobutanoic acid
CID 174511333
2-(4-hydroxy-N-(2-methoxyacetyl)anilino)acetic acid
CID 61276951
2-(4-hydroxy-N-(3-hydroxybenzoyl)anilino)acetic acid
CID 60830444
2-[4-hydroxy-N-(pyridine-4-carbonyl)anilino]acetic acid
CID 60831290

Frequently Asked Questions

What is the IUPAC name of 2-[N-[bis(2-hydroxyethyl)carbamoyl]-4-hydroxyanilino]acetic acid?
The IUPAC name of 2-[N-[bis(2-hydroxyethyl)carbamoyl]-4-hydroxyanilino]acetic acid (CID 61235432) is 2-[N-[bis(2-hydroxyethyl)carbamoyl]-4-hydroxyanilino]acetic acid.
What is the SMILES notation for 2-[N-[bis(2-hydroxyethyl)carbamoyl]-4-hydroxyanilino]acetic acid?
The canonical SMILES for 2-[N-[bis(2-hydroxyethyl)carbamoyl]-4-hydroxyanilino]acetic acid is O=C(O)CN(C(=O)N(CCO)CCO)c1ccc(O)cc1.
What is the InChIKey of 2-[N-[bis(2-hydroxyethyl)carbamoyl]-4-hydroxyanilino]acetic acid?
The InChIKey is WUBMBAKWLJWCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O6/c16-7-5-14(6-8-17)13(21)15(9-12(19)20)10-1-3-11(18)4-2-10/h1-4,16-18H,5-9H2,(H,19,20).
What are the key properties of 2-[N-[bis(2-hydroxyethyl)carbamoyl]-4-hydroxyanilino]acetic acid?
2-[N-[bis(2-hydroxyethyl)carbamoyl]-4-hydroxyanilino]acetic acid has a molecular weight of 298.29 g/mol, XLogP of -0.31, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[bis(2-hydroxyethyl)carbamoyl]-4-hydroxyanilino]acetic acid is sourced from PubChem (CID 61235432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).