2-[4-(2,4-dihydroxyphenyl)pentanoylamino]acetic acid

C13H17NO5 — CID 137352305

IUPAC2-[4-(2,4-dihydroxyphenyl)pentanoylamino]acetic acid
SMILESCC(CCC(=O)NCC(=O)O)c1ccc(O)cc1O
InChIInChI=1S/C13H17NO5/c1-8(2-5-12(17)14-7-13(18)19)10-4-3-9(15)6-11(10)16/h3-4,6,8,15-16H,2,5,7H2,1H3,(H,14,17)(H,18,19)
InChIKeyDVUUVXOEJVVYNT-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.18
Rot. Bonds6

About 2-[4-(2,4-dihydroxyphenyl)pentanoylamino]acetic acid

2-[4-(2,4-dihydroxyphenyl)pentanoylamino]acetic acid (PubChem CID 137352305) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[4-(2,4-dihydroxyphenyl)pentanoylamino]acetic acid.

Molecular Properties

Compound Name2-[4-(2,4-dihydroxyphenyl)pentanoylamino]acetic acid
PubChem CID137352305
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name2-[4-(2,4-dihydroxyphenyl)pentanoylamino]acetic acid
SMILESCC(CCC(=O)NCC(=O)O)c1ccc(O)cc1O
InChIInChI=1S/C13H17NO5/c1-8(2-5-12(17)14-7-13(18)19)10-4-3-9(15)6-11(10)16/h3-4,6,8,15-16H,2,5,7H2,1H3,(H,14,17)(H,18,19)
InChIKeyDVUUVXOEJVVYNT-UHFFFAOYSA-N
XLogP1.18
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[4-(2,4-dihydroxyphenyl)pentanoylamino]acetate
CID 137352856
ethyl (2R)-2-[4-(2,4-dihydroxyphenyl)pentanoylamino]propanoate
CID 137352793
(2R)-2-[3-(2,4-dihydroxyphenyl)butanoylamino]propanoic acid
CID 129246168
4-hexan-2-ylbenzene-1,3-diol
CID 66695243
2-[1-(2,4-dihydroxyphenyl)ethylamino]-N-propan-2-ylacetamide
CID 43567781
1-(2,4-dihydroxy-5-propan-2-ylphenyl)ethanone;4-pentan-2-ylbenzene-1,3-diol
CID 143777978
2,3,4,5-tetrahydroxypentyl 4-(2,4-dihydroxyphenyl)pentanoate
CID 146523999
(3S)-3-amino-3-(2,4-dihydroxyphenyl)propanoic acid
CID 9152250
2-[1-[4-hydroxy-2-(2,4,6-trihydroxyphenyl)phenyl]propylamino]acetic acid
CID 140533928
ethane;3-[(2-hydroxy-3,3-dimethylhexanoyl)amino]propyl 4-(2,4-dihydroxyphenyl)pentanoate
CID 142486312
N-[2-(4-hydroxyphenyl)-2-oxoethyl]-4-methylpentanamide
CID 53360343
2-(5-hydroxyhexanoylamino)acetic acid
CID 131802905

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dihydroxyphenyl)pentanoylamino]acetic acid?
The IUPAC name of 2-[4-(2,4-dihydroxyphenyl)pentanoylamino]acetic acid (CID 137352305) is 2-[4-(2,4-dihydroxyphenyl)pentanoylamino]acetic acid.
What is the SMILES notation for 2-[4-(2,4-dihydroxyphenyl)pentanoylamino]acetic acid?
The canonical SMILES for 2-[4-(2,4-dihydroxyphenyl)pentanoylamino]acetic acid is CC(CCC(=O)NCC(=O)O)c1ccc(O)cc1O.
What is the InChIKey of 2-[4-(2,4-dihydroxyphenyl)pentanoylamino]acetic acid?
The InChIKey is DVUUVXOEJVVYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-8(2-5-12(17)14-7-13(18)19)10-4-3-9(15)6-11(10)16/h3-4,6,8,15-16H,2,5,7H2,1H3,(H,14,17)(H,18,19).
What are the key properties of 2-[4-(2,4-dihydroxyphenyl)pentanoylamino]acetic acid?
2-[4-(2,4-dihydroxyphenyl)pentanoylamino]acetic acid has a molecular weight of 267.28 g/mol, XLogP of 1.18, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-dihydroxyphenyl)pentanoylamino]acetic acid is sourced from PubChem (CID 137352305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).