4-amino-3-(4-propoxyphenyl)hexanoic acid

C15H23NO3 — CID 66096290

IUPAC4-amino-3-(4-propoxyphenyl)hexanoic acid
SMILESCCCOc1ccc(C(CC(=O)O)C(N)CC)cc1
InChIInChI=1S/C15H23NO3/c1-3-9-19-12-7-5-11(6-8-12)13(10-15(17)18)14(16)4-2/h5-8,13-14H,3-4,9-10,16H2,1-2H3,(H,17,18)
InChIKeyDSGHMPYJQZBOKS-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.77
Rot. Bonds8

About 4-amino-3-(4-propoxyphenyl)hexanoic acid

4-amino-3-(4-propoxyphenyl)hexanoic acid (PubChem CID 66096290) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 4-amino-3-(4-propoxyphenyl)hexanoic acid.

Molecular Properties

Compound Name4-amino-3-(4-propoxyphenyl)hexanoic acid
PubChem CID66096290
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name4-amino-3-(4-propoxyphenyl)hexanoic acid
SMILESCCCOc1ccc(C(CC(=O)O)C(N)CC)cc1
InChIInChI=1S/C15H23NO3/c1-3-9-19-12-7-5-11(6-8-12)13(10-15(17)18)14(16)4-2/h5-8,13-14H,3-4,9-10,16H2,1-2H3,(H,17,18)
InChIKeyDSGHMPYJQZBOKS-UHFFFAOYSA-N
XLogP2.77
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-amino-3-(4-propoxyphenyl)propanoic acid
CID 2060966
4-amino-3-(4-methylphenyl)hexanoic acid
CID 66097527
4-amino-3-(4-ethylphenyl)hexanoic acid
CID 66096909
(2R)-2-(4-propoxyphenyl)butanedioate
CID 7037635
(3S)-3-benzamido-3-(4-propoxyphenyl)propanoic acid
CID 7044624
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
5-amino-2-(4-propoxyphenyl)heptan-4-ol
CID 83932372
(3S)-3-[(4-methylbenzoyl)amino]-3-(4-propoxyphenyl)propanoic acid
CID 7044731
2-chloro-2-(4-propoxyphenyl)acetic acid
CID 82288302
4-chloro-4-(4-propoxyphenyl)butanoic acid
CID 103440270
2-[4-[2-[4-(1,2-dicarboxyethyl)phenoxy]ethoxy]phenyl]butanedioic acid
CID 5159637
3-[4-(carboxymethoxy)phenyl]pentanoic acid
CID 101226373

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(4-propoxyphenyl)hexanoic acid?
The IUPAC name of 4-amino-3-(4-propoxyphenyl)hexanoic acid (CID 66096290) is 4-amino-3-(4-propoxyphenyl)hexanoic acid.
What is the SMILES notation for 4-amino-3-(4-propoxyphenyl)hexanoic acid?
The canonical SMILES for 4-amino-3-(4-propoxyphenyl)hexanoic acid is CCCOc1ccc(C(CC(=O)O)C(N)CC)cc1.
What is the InChIKey of 4-amino-3-(4-propoxyphenyl)hexanoic acid?
The InChIKey is DSGHMPYJQZBOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-3-9-19-12-7-5-11(6-8-12)13(10-15(17)18)14(16)4-2/h5-8,13-14H,3-4,9-10,16H2,1-2H3,(H,17,18).
What are the key properties of 4-amino-3-(4-propoxyphenyl)hexanoic acid?
4-amino-3-(4-propoxyphenyl)hexanoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(4-propoxyphenyl)hexanoic acid is sourced from PubChem (CID 66096290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).