2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]pentanoic acid

C16H25NO4 — CID 83035506

IUPAC2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]pentanoic acid
SMILESCCCC(Oc1ccc(CNC(C)C)cc1OC)C(=O)O
InChIInChI=1S/C16H25NO4/c1-5-6-14(16(18)19)21-13-8-7-12(9-15(13)20-4)10-17-11(2)3/h7-9,11,14,17H,5-6,10H2,1-4H3,(H,18,19)
InChIKeyUYZYVEHEVMULNV-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.83
Rot. Bonds9

About 2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]pentanoic acid

2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]pentanoic acid (PubChem CID 83035506) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]pentanoic acid.

Molecular Properties

Compound Name2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]pentanoic acid
PubChem CID83035506
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]pentanoic acid
SMILESCCCC(Oc1ccc(CNC(C)C)cc1OC)C(=O)O
InChIInChI=1S/C16H25NO4/c1-5-6-14(16(18)19)21-13-8-7-12(9-15(13)20-4)10-17-11(2)3/h7-9,11,14,17H,5-6,10H2,1-4H3,(H,18,19)
InChIKeyUYZYVEHEVMULNV-UHFFFAOYSA-N
XLogP2.83
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-bromo-4-[(propan-2-ylamino)methyl]phenoxy]pentanoic acid
CID 83038309
2-[4-(2-aminopropyl)-2-methoxyphenoxy]pentanoic acid
CID 83049966
2-[4-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]pentanoic acid
CID 83034354
2-[3-[(propan-2-ylamino)methyl]phenoxy]pentanoic acid
CID 83038303
2-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]pentanoic acid
CID 83037173
4-(1-carboxybutoxy)-3-methoxybenzoic acid
CID 83041356
N-ethyl-2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]propanamide
CID 43278651
2-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]pentanoic acid
CID 83037676
2-methoxy-4-[(propan-2-ylamino)methyl]benzoic acid
CID 117220706
(2S)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]hexanoic acid
CID 120511758
2-[(3-methoxy-4-propoxyphenyl)methylamino]propanoic acid
CID 57411910
2-(4-carbamothioyl-2-methoxyphenoxy)pentanoic acid
CID 83041877

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]pentanoic acid?
The IUPAC name of 2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]pentanoic acid (CID 83035506) is 2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]pentanoic acid.
What is the SMILES notation for 2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]pentanoic acid?
The canonical SMILES for 2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]pentanoic acid is CCCC(Oc1ccc(CNC(C)C)cc1OC)C(=O)O.
What is the InChIKey of 2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]pentanoic acid?
The InChIKey is UYZYVEHEVMULNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-5-6-14(16(18)19)21-13-8-7-12(9-15(13)20-4)10-17-11(2)3/h7-9,11,14,17H,5-6,10H2,1-4H3,(H,18,19).
What are the key properties of 2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]pentanoic acid?
2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]pentanoic acid has a molecular weight of 295.38 g/mol, XLogP of 2.83, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]pentanoic acid is sourced from PubChem (CID 83035506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).