2-[2-[[2-hydroxyethyl(propyl)carbamoyl]amino]phenyl]acetic acid

C14H20N2O4 — CID 62535180

IUPAC2-[2-[[2-hydroxyethyl(propyl)carbamoyl]amino]phenyl]acetic acid
SMILESCCCN(CCO)C(=O)Nc1ccccc1CC(=O)O
InChIInChI=1S/C14H20N2O4/c1-2-7-16(8-9-17)14(20)15-12-6-4-3-5-11(12)10-13(18)19/h3-6,17H,2,7-10H2,1H3,(H,15,20)(H,18,19)
InChIKeyXEQDATKLDNMWHD-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.55
Rot. Bonds7

About 2-[2-[[2-hydroxyethyl(propyl)carbamoyl]amino]phenyl]acetic acid

2-[2-[[2-hydroxyethyl(propyl)carbamoyl]amino]phenyl]acetic acid (PubChem CID 62535180) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[2-[[2-hydroxyethyl(propyl)carbamoyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[2-hydroxyethyl(propyl)carbamoyl]amino]phenyl]acetic acid
PubChem CID62535180
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[2-[[2-hydroxyethyl(propyl)carbamoyl]amino]phenyl]acetic acid
SMILESCCCN(CCO)C(=O)Nc1ccccc1CC(=O)O
InChIInChI=1S/C14H20N2O4/c1-2-7-16(8-9-17)14(20)15-12-6-4-3-5-11(12)10-13(18)19/h3-6,17H,2,7-10H2,1H3,(H,15,20)(H,18,19)
InChIKeyXEQDATKLDNMWHD-UHFFFAOYSA-N
XLogP1.55
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-hydroxyethyl(propyl)carbamoyl]amino]-2-methylbenzoic acid
CID 62948763
1-benzyl-1-(2-hydroxyethyl)-3-(2-propylphenyl)urea
CID 110896766
2-[2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]phenyl]acetic acid
CID 62534809
2-[(2-methylphenyl)carbamoyl-propylamino]acetic acid
CID 61195729
2-[2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]phenyl]acetic acid
CID 104553186
1,1-diethyl-3-(2-propylphenyl)urea
CID 113233204
4-fluoro-2-[[2-hydroxyethyl(propyl)carbamoyl]amino]benzoic acid
CID 61425387
1-(2-hydroxyethyl)-3-phenyl-1-undecylurea
CID 70451899
2-[2-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid
CID 62534801
2-[2-[[2-hydroxyethyl-[(2-methoxyphenyl)methyl]carbamoyl]amino]phenyl]-N-methylacetamide
CID 55819269
1-(2-hydroxyethyl)-3-(3-methylphenyl)-1-propylurea
CID 60736581
3-(5-bromo-2-fluorophenyl)-1-(2-hydroxyethyl)-1-propylurea
CID 111117091

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-hydroxyethyl(propyl)carbamoyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[2-[[2-hydroxyethyl(propyl)carbamoyl]amino]phenyl]acetic acid (CID 62535180) is 2-[2-[[2-hydroxyethyl(propyl)carbamoyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[2-hydroxyethyl(propyl)carbamoyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[2-hydroxyethyl(propyl)carbamoyl]amino]phenyl]acetic acid is CCCN(CCO)C(=O)Nc1ccccc1CC(=O)O.
What is the InChIKey of 2-[2-[[2-hydroxyethyl(propyl)carbamoyl]amino]phenyl]acetic acid?
The InChIKey is XEQDATKLDNMWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-2-7-16(8-9-17)14(20)15-12-6-4-3-5-11(12)10-13(18)19/h3-6,17H,2,7-10H2,1H3,(H,15,20)(H,18,19).
What are the key properties of 2-[2-[[2-hydroxyethyl(propyl)carbamoyl]amino]phenyl]acetic acid?
2-[2-[[2-hydroxyethyl(propyl)carbamoyl]amino]phenyl]acetic acid has a molecular weight of 280.32 g/mol, XLogP of 1.55, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-hydroxyethyl(propyl)carbamoyl]amino]phenyl]acetic acid is sourced from PubChem (CID 62535180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).