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

C14H20N2O4 — CID 62534809

IUPAC2-[2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]phenyl]acetic acid
SMILESCC(C)N(CCO)C(=O)Nc1ccccc1CC(=O)O
InChIInChI=1S/C14H20N2O4/c1-10(2)16(7-8-17)14(20)15-12-6-4-3-5-11(12)9-13(18)19/h3-6,10,17H,7-9H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyQFSJDLOMARAKEX-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.55
Rot. Bonds6

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

2-[2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]phenyl]acetic acid (PubChem CID 62534809) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]phenyl]acetic acid
PubChem CID62534809
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]phenyl]acetic acid
SMILESCC(C)N(CCO)C(=O)Nc1ccccc1CC(=O)O
InChIInChI=1S/C14H20N2O4/c1-10(2)16(7-8-17)14(20)15-12-6-4-3-5-11(12)9-13(18)19/h3-6,10,17H,7-9H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyQFSJDLOMARAKEX-UHFFFAOYSA-N
XLogP1.55
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
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

2-[2-[[2-hydroxyethyl(propyl)carbamoyl]amino]phenyl]acetic acid
CID 62535180
3-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 113447906
2-[2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]phenyl]acetic acid
CID 104553186
2-[(2-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid
CID 61194418
3-[(2-ethoxyphenyl)carbamoyl-propan-2-ylamino]propanoic acid
CID 61181189
(2S)-2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-2-phenylacetic acid
CID 104899000
4-[(2,3-dimethylphenyl)carbamoyl-propan-2-ylamino]butanoic acid
CID 61200589
2-chloro-N-[2-(hydroxymethyl)phenyl]propanamide
CID 43700276
2-[2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]phenyl]acetic acid
CID 62536518
2-[2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]phenyl]acetic acid
CID 62535737
4-[(3-bromo-2-methylphenyl)carbamoyl-propan-2-ylamino]butanoic acid
CID 107627216
3-[2-(ethoxymethyl)phenyl]-1-(2-hydroxypropyl)-1-propan-2-ylurea
CID 111754728

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]phenyl]acetic acid (CID 62534809) is 2-[2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]phenyl]acetic acid is CC(C)N(CCO)C(=O)Nc1ccccc1CC(=O)O.
What is the InChIKey of 2-[2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]phenyl]acetic acid?
The InChIKey is QFSJDLOMARAKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-10(2)16(7-8-17)14(20)15-12-6-4-3-5-11(12)9-13(18)19/h3-6,10,17H,7-9H2,1-2H3,(H,15,20)(H,18,19).
What are the key properties of 2-[2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]phenyl]acetic acid?
2-[2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]phenyl]acetic acid has a molecular weight of 280.32 g/mol, XLogP of 1.55, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]phenyl]acetic acid is sourced from PubChem (CID 62534809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).