2-[3-[(propan-2-ylamino)methyl]phenoxy]pentanoic acid

C15H23NO3 — CID 83038303

IUPAC2-[3-[(propan-2-ylamino)methyl]phenoxy]pentanoic acid
SMILESCCCC(Oc1cccc(CNC(C)C)c1)C(=O)O
InChIInChI=1S/C15H23NO3/c1-4-6-14(15(17)18)19-13-8-5-7-12(9-13)10-16-11(2)3/h5,7-9,11,14,16H,4,6,10H2,1-3H3,(H,17,18)
InChIKeyBSEBFDPOBWUTSE-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.82
Rot. Bonds8

About 2-[3-[(propan-2-ylamino)methyl]phenoxy]pentanoic acid

2-[3-[(propan-2-ylamino)methyl]phenoxy]pentanoic acid (PubChem CID 83038303) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[3-[(propan-2-ylamino)methyl]phenoxy]pentanoic acid.

Molecular Properties

Compound Name2-[3-[(propan-2-ylamino)methyl]phenoxy]pentanoic acid
PubChem CID83038303
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-[3-[(propan-2-ylamino)methyl]phenoxy]pentanoic acid
SMILESCCCC(Oc1cccc(CNC(C)C)c1)C(=O)O
InChIInChI=1S/C15H23NO3/c1-4-6-14(15(17)18)19-13-8-5-7-12(9-13)10-16-11(2)3/h5,7-9,11,14,16H,4,6,10H2,1-3H3,(H,17,18)
InChIKeyBSEBFDPOBWUTSE-UHFFFAOYSA-N
XLogP2.82
TPSA58.56 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 ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(propan-2-ylamino)methyl]phenoxy]butanoic acid
CID 64669301
ethyl 2-[3-[(propan-2-ylamino)methyl]phenoxy]butanoate
CID 64669104
2-[2-bromo-4-[(propan-2-ylamino)methyl]phenoxy]pentanoic acid
CID 83038309
2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]pentanoic acid
CID 83035506
2-[3-(ethylaminomethyl)phenoxy]butanoic acid
CID 64668910
2-[3-[(1R)-1-hydroxyethyl]phenoxy]pentanoic acid
CID 83042004
2-[4-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]pentanoic acid
CID 83034354
2-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]pentanoic acid
CID 83037173
2-[(3-phenylmethoxyphenyl)methylamino]pentanoic acid
CID 120509588
2-[(3-ethoxyphenyl)methylamino]propanoic acid
CID 61499824
N-[[3-(3-ethylphenoxy)phenyl]methyl]propan-2-amine
CID 63943086
ethyl 2-(3-ethylphenoxy)pentanoate
CID 83038247

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(propan-2-ylamino)methyl]phenoxy]pentanoic acid?
The IUPAC name of 2-[3-[(propan-2-ylamino)methyl]phenoxy]pentanoic acid (CID 83038303) is 2-[3-[(propan-2-ylamino)methyl]phenoxy]pentanoic acid.
What is the SMILES notation for 2-[3-[(propan-2-ylamino)methyl]phenoxy]pentanoic acid?
The canonical SMILES for 2-[3-[(propan-2-ylamino)methyl]phenoxy]pentanoic acid is CCCC(Oc1cccc(CNC(C)C)c1)C(=O)O.
What is the InChIKey of 2-[3-[(propan-2-ylamino)methyl]phenoxy]pentanoic acid?
The InChIKey is BSEBFDPOBWUTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-6-14(15(17)18)19-13-8-5-7-12(9-13)10-16-11(2)3/h5,7-9,11,14,16H,4,6,10H2,1-3H3,(H,17,18).
What are the key properties of 2-[3-[(propan-2-ylamino)methyl]phenoxy]pentanoic acid?
2-[3-[(propan-2-ylamino)methyl]phenoxy]pentanoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.82, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(propan-2-ylamino)methyl]phenoxy]pentanoic acid is sourced from PubChem (CID 83038303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).