2-[(2-methoxy-5-methylphenyl)methylamino]pentanoic acid

C14H21NO3 — CID 43631579

IUPAC2-[(2-methoxy-5-methylphenyl)methylamino]pentanoic acid
SMILESCCCC(NCc1cc(C)ccc1OC)C(=O)O
InChIInChI=1S/C14H21NO3/c1-4-5-12(14(16)17)15-9-11-8-10(2)6-7-13(11)18-3/h6-8,12,15H,4-5,9H2,1-3H3,(H,16,17)
InChIKeyJLNBGCPTMKJAPO-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.35
Rot. Bonds7

About 2-[(2-methoxy-5-methylphenyl)methylamino]pentanoic acid

2-[(2-methoxy-5-methylphenyl)methylamino]pentanoic acid (PubChem CID 43631579) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[(2-methoxy-5-methylphenyl)methylamino]pentanoic acid.

Molecular Properties

Compound Name2-[(2-methoxy-5-methylphenyl)methylamino]pentanoic acid
PubChem CID43631579
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-[(2-methoxy-5-methylphenyl)methylamino]pentanoic acid
SMILESCCCC(NCc1cc(C)ccc1OC)C(=O)O
InChIInChI=1S/C14H21NO3/c1-4-5-12(14(16)17)15-9-11-8-10(2)6-7-13(11)18-3/h6-8,12,15H,4-5,9H2,1-3H3,(H,16,17)
InChIKeyJLNBGCPTMKJAPO-UHFFFAOYSA-N
XLogP2.35
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methoxy-5-methylphenyl)methylamino]hexanoic acid
CID 120510198
2-[(2,3,4-trimethoxyphenyl)methylamino]pentanoic acid
CID 65054790
(2R)-2-[(2-methoxy-5-methylphenyl)methylamino]-3-methylbutanoic acid
CID 93056746
N-[(2-methoxy-5-methylphenyl)methyl]pentan-2-amine
CID 43406677
2-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]butanoic acid
CID 43388197
2-[(2,5-dimethoxyphenyl)methylamino]butanoic acid
CID 82364659
2-[(2-methoxy-5-methylphenyl)methylcarbamoyl]butanoic acid
CID 115185960
N-[(2-methoxy-5-methylphenyl)methyl]hexan-2-amine
CID 62199273
(2S)-2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]pentanoic acid
CID 107563797
2-amino-3-[(2-methoxy-5-methylphenyl)methylamino]propanoic acid
CID 115240648
2-[(2-methoxy-5-methylphenyl)methylamino]-2-phenylacetamide
CID 56811840
(2S)-2-[(2,4-dimethoxyphenyl)methylamino]hexanoic acid
CID 120511723

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-5-methylphenyl)methylamino]pentanoic acid?
The IUPAC name of 2-[(2-methoxy-5-methylphenyl)methylamino]pentanoic acid (CID 43631579) is 2-[(2-methoxy-5-methylphenyl)methylamino]pentanoic acid.
What is the SMILES notation for 2-[(2-methoxy-5-methylphenyl)methylamino]pentanoic acid?
The canonical SMILES for 2-[(2-methoxy-5-methylphenyl)methylamino]pentanoic acid is CCCC(NCc1cc(C)ccc1OC)C(=O)O.
What is the InChIKey of 2-[(2-methoxy-5-methylphenyl)methylamino]pentanoic acid?
The InChIKey is JLNBGCPTMKJAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-5-12(14(16)17)15-9-11-8-10(2)6-7-13(11)18-3/h6-8,12,15H,4-5,9H2,1-3H3,(H,16,17).
What are the key properties of 2-[(2-methoxy-5-methylphenyl)methylamino]pentanoic acid?
2-[(2-methoxy-5-methylphenyl)methylamino]pentanoic acid has a molecular weight of 251.33 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-5-methylphenyl)methylamino]pentanoic acid is sourced from PubChem (CID 43631579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).