2-(4-propoxyanilino)acetic acid

C11H15NO3 — CID 15310375

IUPAC2-(4-propoxyanilino)acetic acid
SMILESCCCOc1ccc(NCC(=O)O)cc1
InChIInChI=1S/C11H15NO3/c1-2-7-15-10-5-3-9(4-6-10)12-8-11(13)14/h3-6,12H,2,7-8H2,1H3,(H,13,14)
InChIKeyHKEGRTLFDWOLCB-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.97
Rot. Bonds6

About 2-(4-propoxyanilino)acetic acid

2-(4-propoxyanilino)acetic acid (PubChem CID 15310375) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-(4-propoxyanilino)acetic acid.

Molecular Properties

Compound Name2-(4-propoxyanilino)acetic acid
PubChem CID15310375
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name2-(4-propoxyanilino)acetic acid
SMILESCCCOc1ccc(NCC(=O)O)cc1
InChIInChI=1S/C11H15NO3/c1-2-7-15-10-5-3-9(4-6-10)12-8-11(13)14/h3-6,12H,2,7-8H2,1H3,(H,13,14)
InChIKeyHKEGRTLFDWOLCB-UHFFFAOYSA-N
XLogP1.97
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(4-pentoxyanilino)acetic acid
CID 15310380
2-(4-propoxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54820383
N-pentan-2-yl-2-(4-propoxyanilino)acetamide
CID 62328507
N-(2-bromoprop-2-enyl)-4-propoxyaniline
CID 62328156
2-(4-fluoroanilino)-N-(4-propoxyphenyl)acetamide
CID 54811098
(E)-4-(4-propoxyanilino)but-2-enoic acid
CID 103248230
(2R)-1-(4-propoxyanilino)propan-2-ol
CID 106932070
N-(2,3-dichloroprop-2-enyl)-4-propoxyaniline
CID 79167267
N-[4-(3-methylbutoxy)phenyl]-2-(4-propoxyanilino)acetamide
CID 54820417
2-(4-propan-2-yloxyanilino)acetic acid
CID 28969819
N-[2-(2-phenoxyethoxy)phenyl]-2-(4-propoxyanilino)acetamide
CID 54820282
2-[(6-butoxy-3-pyridinyl)amino]acetic acid
CID 3028450

Frequently Asked Questions

What is the IUPAC name of 2-(4-propoxyanilino)acetic acid?
The IUPAC name of 2-(4-propoxyanilino)acetic acid (CID 15310375) is 2-(4-propoxyanilino)acetic acid.
What is the SMILES notation for 2-(4-propoxyanilino)acetic acid?
The canonical SMILES for 2-(4-propoxyanilino)acetic acid is CCCOc1ccc(NCC(=O)O)cc1.
What is the InChIKey of 2-(4-propoxyanilino)acetic acid?
The InChIKey is HKEGRTLFDWOLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-2-7-15-10-5-3-9(4-6-10)12-8-11(13)14/h3-6,12H,2,7-8H2,1H3,(H,13,14).
What are the key properties of 2-(4-propoxyanilino)acetic acid?
2-(4-propoxyanilino)acetic acid has a molecular weight of 209.25 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propoxyanilino)acetic acid is sourced from PubChem (CID 15310375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).