5-[[ethyl-(3-hydroxyphenyl)carbamoyl]amino]pentanoic acid

C14H20N2O4 — CID 107737356

IUPAC5-[[ethyl-(3-hydroxyphenyl)carbamoyl]amino]pentanoic acid
SMILESCCN(C(=O)NCCCCC(=O)O)c1cccc(O)c1
InChIInChI=1S/C14H20N2O4/c1-2-16(11-6-5-7-12(17)10-11)14(20)15-9-4-3-8-13(18)19/h5-7,10,17H,2-4,8-9H2,1H3,(H,15,20)(H,18,19)
InChIKeyDIWHSZDGSBHDSZ-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.18
Rot. Bonds7

About 5-[[ethyl-(3-hydroxyphenyl)carbamoyl]amino]pentanoic acid

5-[[ethyl-(3-hydroxyphenyl)carbamoyl]amino]pentanoic acid (PubChem CID 107737356) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 5-[[ethyl-(3-hydroxyphenyl)carbamoyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-[[ethyl-(3-hydroxyphenyl)carbamoyl]amino]pentanoic acid
PubChem CID107737356
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name5-[[ethyl-(3-hydroxyphenyl)carbamoyl]amino]pentanoic acid
SMILESCCN(C(=O)NCCCCC(=O)O)c1cccc(O)c1
InChIInChI=1S/C14H20N2O4/c1-2-16(11-6-5-7-12(17)10-11)14(20)15-9-4-3-8-13(18)19/h5-7,10,17H,2-4,8-9H2,1H3,(H,15,20)(H,18,19)
InChIKeyDIWHSZDGSBHDSZ-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[[(3-hydroxyphenyl)-methylcarbamoyl]amino]hexanoic acid
CID 107737234
3-[[ethyl-(3-hydroxyphenyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 107737452
ethyl-(3-hydroxyphenyl)carbamic acid
CID 20544636
4-(N-ethyl-3-hydroxyanilino)butanoic acid
CID 103275044
3-(N-ethyl-3-hydroxyanilino)propanoic acid
CID 23390580
N-ethyl-N-(3-hydroxyphenyl)heptanamide
CID 107736474
methyl N-ethyl-N-(3-hydroxyphenyl)carbamate
CID 107734186
(2S)-2-[[ethyl-(3-hydroxyphenyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 107737365
3-[N-(butylcarbamoyl)anilino]propanoic acid
CID 60828926
1-ethyl-1-phenyl-3-(3-phenylpropyl)urea
CID 108990490
N-ethyl-2-(2-hydroxyphenyl)-N-(3-hydroxyphenyl)acetamide
CID 107735690
1-ethyl-3-(3-methoxypropyl)-1-(3-methylphenyl)urea
CID 108988156

Frequently Asked Questions

What is the IUPAC name of 5-[[ethyl-(3-hydroxyphenyl)carbamoyl]amino]pentanoic acid?
The IUPAC name of 5-[[ethyl-(3-hydroxyphenyl)carbamoyl]amino]pentanoic acid (CID 107737356) is 5-[[ethyl-(3-hydroxyphenyl)carbamoyl]amino]pentanoic acid.
What is the SMILES notation for 5-[[ethyl-(3-hydroxyphenyl)carbamoyl]amino]pentanoic acid?
The canonical SMILES for 5-[[ethyl-(3-hydroxyphenyl)carbamoyl]amino]pentanoic acid is CCN(C(=O)NCCCCC(=O)O)c1cccc(O)c1.
What is the InChIKey of 5-[[ethyl-(3-hydroxyphenyl)carbamoyl]amino]pentanoic acid?
The InChIKey is DIWHSZDGSBHDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-2-16(11-6-5-7-12(17)10-11)14(20)15-9-4-3-8-13(18)19/h5-7,10,17H,2-4,8-9H2,1H3,(H,15,20)(H,18,19).
What are the key properties of 5-[[ethyl-(3-hydroxyphenyl)carbamoyl]amino]pentanoic acid?
5-[[ethyl-(3-hydroxyphenyl)carbamoyl]amino]pentanoic acid has a molecular weight of 280.32 g/mol, XLogP of 2.18, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[ethyl-(3-hydroxyphenyl)carbamoyl]amino]pentanoic acid is sourced from PubChem (CID 107737356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).