2-[butan-2-yl-[(2-methoxy-5-methylphenyl)methyl]amino]acetic acid

C15H23NO3 — CID 60834543

IUPAC2-[butan-2-yl-[(2-methoxy-5-methylphenyl)methyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)Cc1cc(C)ccc1OC
InChIInChI=1S/C15H23NO3/c1-5-12(3)16(10-15(17)18)9-13-8-11(2)6-7-14(13)19-4/h6-8,12H,5,9-10H2,1-4H3,(H,17,18)
InChIKeyANWLOVZNOJYPAR-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.69
Rot. Bonds7

About 2-[butan-2-yl-[(2-methoxy-5-methylphenyl)methyl]amino]acetic acid

2-[butan-2-yl-[(2-methoxy-5-methylphenyl)methyl]amino]acetic acid (PubChem CID 60834543) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[butan-2-yl-[(2-methoxy-5-methylphenyl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[(2-methoxy-5-methylphenyl)methyl]amino]acetic acid
PubChem CID60834543
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-[butan-2-yl-[(2-methoxy-5-methylphenyl)methyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)Cc1cc(C)ccc1OC
InChIInChI=1S/C15H23NO3/c1-5-12(3)16(10-15(17)18)9-13-8-11(2)6-7-14(13)19-4/h6-8,12H,5,9-10H2,1-4H3,(H,17,18)
InChIKeyANWLOVZNOJYPAR-UHFFFAOYSA-N
XLogP2.69
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butan-2-yl-[(2-methoxyphenyl)methyl]amino]acetic acid
CID 60833584
2-[ethyl-[(2-methoxy-5-methylphenyl)methyl]amino]acetic acid
CID 54900678
3-[[butan-2-yl(ethyl)amino]methyl]-4-methoxybenzoic acid
CID 62018229
N-[(2-methoxy-5-methylphenyl)methyl]-N,2-dimethylpropanamide
CID 60666350
(2-methoxy-5-methylphenyl)methyl-methylcarbamic acid
CID 115170937
2-(butan-2-ylamino)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylacetamide
CID 61258818
2-[butan-2-yl-[(2-chloro-6-methoxyphenyl)methyl]amino]acetic acid
CID 113456611
3-[[2-(2-methoxy-5-methylphenyl)acetyl]-propan-2-ylamino]propanoic acid
CID 60830398
3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-2-one
CID 114965728
(2R)-2-[(2-methoxy-5-methylphenyl)methylamino]-3-methylbutanoic acid
CID 93056746
3-[(2-methoxy-5-methylphenyl)methyl-methylamino]-3-methylbutanoic acid
CID 117042414
2-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylpropanamide
CID 107903015

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[(2-methoxy-5-methylphenyl)methyl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[(2-methoxy-5-methylphenyl)methyl]amino]acetic acid (CID 60834543) is 2-[butan-2-yl-[(2-methoxy-5-methylphenyl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[(2-methoxy-5-methylphenyl)methyl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[(2-methoxy-5-methylphenyl)methyl]amino]acetic acid is CCC(C)N(CC(=O)O)Cc1cc(C)ccc1OC.
What is the InChIKey of 2-[butan-2-yl-[(2-methoxy-5-methylphenyl)methyl]amino]acetic acid?
The InChIKey is ANWLOVZNOJYPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-12(3)16(10-15(17)18)9-13-8-11(2)6-7-14(13)19-4/h6-8,12H,5,9-10H2,1-4H3,(H,17,18).
What are the key properties of 2-[butan-2-yl-[(2-methoxy-5-methylphenyl)methyl]amino]acetic acid?
2-[butan-2-yl-[(2-methoxy-5-methylphenyl)methyl]amino]acetic acid has a molecular weight of 265.35 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-[(2-methoxy-5-methylphenyl)methyl]amino]acetic acid is sourced from PubChem (CID 60834543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).