2-[[4-hydroxy-4-(4-methoxyphenyl)butanoyl]amino]acetic acid

C13H17NO5 — CID 54272554

IUPAC2-[[4-hydroxy-4-(4-methoxyphenyl)butanoyl]amino]acetic acid
SMILESCOc1ccc(C(O)CCC(=O)NCC(=O)O)cc1
InChIInChI=1S/C13H17NO5/c1-19-10-4-2-9(3-5-10)11(15)6-7-12(16)14-8-13(17)18/h2-5,11,15H,6-8H2,1H3,(H,14,16)(H,17,18)
InChIKeyRLECLTYPOMRDFL-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.71
Rot. Bonds7

About 2-[[4-hydroxy-4-(4-methoxyphenyl)butanoyl]amino]acetic acid

2-[[4-hydroxy-4-(4-methoxyphenyl)butanoyl]amino]acetic acid (PubChem CID 54272554) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[[4-hydroxy-4-(4-methoxyphenyl)butanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-hydroxy-4-(4-methoxyphenyl)butanoyl]amino]acetic acid
PubChem CID54272554
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name2-[[4-hydroxy-4-(4-methoxyphenyl)butanoyl]amino]acetic acid
SMILESCOc1ccc(C(O)CCC(=O)NCC(=O)O)cc1
InChIInChI=1S/C13H17NO5/c1-19-10-4-2-9(3-5-10)11(15)6-7-12(16)14-8-13(17)18/h2-5,11,15H,6-8H2,1H3,(H,14,16)(H,17,18)
InChIKeyRLECLTYPOMRDFL-UHFFFAOYSA-N
XLogP0.71
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-4-(4-methoxyphenyl)butanoic acid
CID 4193826
1-(4-methoxyphenyl)-4-methylpentan-1-ol
CID 61101415
1-(4-methoxyphenyl)-4-methylpent-4-en-1-ol
CID 114473769
3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propanoic acid
CID 81371134
4-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]butanamide;hydrochloride
CID 119293246
N-(3-hydroxy-3-phenylpropyl)-2-(4-methoxyphenyl)acetamide
CID 71690034
2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]acetic acid
CID 9157069
N-ethyl-2-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]acetamide
CID 54938253
7-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]heptanamide
CID 119730561
[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea
CID 137321016
4-amino-4-(4-methoxyphenyl)butanoic acid;hydrochloride
CID 71757574
(5S)-5-hydroxy-5-(4-propan-2-yloxyphenyl)pentanoic acid
CID 28945621

Frequently Asked Questions

What is the IUPAC name of 2-[[4-hydroxy-4-(4-methoxyphenyl)butanoyl]amino]acetic acid?
The IUPAC name of 2-[[4-hydroxy-4-(4-methoxyphenyl)butanoyl]amino]acetic acid (CID 54272554) is 2-[[4-hydroxy-4-(4-methoxyphenyl)butanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-hydroxy-4-(4-methoxyphenyl)butanoyl]amino]acetic acid?
The canonical SMILES for 2-[[4-hydroxy-4-(4-methoxyphenyl)butanoyl]amino]acetic acid is COc1ccc(C(O)CCC(=O)NCC(=O)O)cc1.
What is the InChIKey of 2-[[4-hydroxy-4-(4-methoxyphenyl)butanoyl]amino]acetic acid?
The InChIKey is RLECLTYPOMRDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-19-10-4-2-9(3-5-10)11(15)6-7-12(16)14-8-13(17)18/h2-5,11,15H,6-8H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 2-[[4-hydroxy-4-(4-methoxyphenyl)butanoyl]amino]acetic acid?
2-[[4-hydroxy-4-(4-methoxyphenyl)butanoyl]amino]acetic acid has a molecular weight of 267.28 g/mol, XLogP of 0.71, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-hydroxy-4-(4-methoxyphenyl)butanoyl]amino]acetic acid is sourced from PubChem (CID 54272554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).