2-[butan-2-yl-[(2-methoxyphenyl)methyl]amino]acetic acid

C14H21NO3 — CID 60833584

IUPAC2-[butan-2-yl-[(2-methoxyphenyl)methyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)Cc1ccccc1OC
InChIInChI=1S/C14H21NO3/c1-4-11(2)15(10-14(16)17)9-12-7-5-6-8-13(12)18-3/h5-8,11H,4,9-10H2,1-3H3,(H,16,17)
InChIKeyDYWWUDPPWLFTCV-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.38
Rot. Bonds7

About 2-[butan-2-yl-[(2-methoxyphenyl)methyl]amino]acetic acid

2-[butan-2-yl-[(2-methoxyphenyl)methyl]amino]acetic acid (PubChem CID 60833584) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[butan-2-yl-[(2-methoxyphenyl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[(2-methoxyphenyl)methyl]amino]acetic acid
PubChem CID60833584
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-[butan-2-yl-[(2-methoxyphenyl)methyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)Cc1ccccc1OC
InChIInChI=1S/C14H21NO3/c1-4-11(2)15(10-14(16)17)9-12-7-5-6-8-13(12)18-3/h5-8,11H,4,9-10H2,1-3H3,(H,16,17)
InChIKeyDYWWUDPPWLFTCV-UHFFFAOYSA-N
XLogP2.38
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butan-2-yl-[(2-methoxy-5-methylphenyl)methyl]amino]acetic acid
CID 60834543
2-[butan-2-yl-[(2-hydroxyphenyl)methyl]amino]acetic acid
CID 65057446
2-[butan-2-yl-[(2-chloro-6-methoxyphenyl)methyl]amino]acetic acid
CID 113456611
3-[(2-methoxyphenyl)methyl-propan-2-ylamino]propanoic acid
CID 60833930
2-[acetyl-[(2-methoxyphenyl)methyl]amino]acetic acid
CID 82044282
2-[benzyl-[(2-methoxyphenyl)methyl]amino]acetic acid
CID 39385257
N-acetyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 91715642
2-[(2-methoxyphenyl)methylcarbamoyl-propan-2-ylamino]acetic acid
CID 61181869
N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 60630949
3-[[butan-2-yl(ethyl)amino]methyl]-4-methoxybenzoic acid
CID 62018229
2-[(2-methoxyphenyl)methyl-prop-2-ynylamino]acetic acid
CID 79274704
2-[[butan-2-yl-[(2-methoxyphenyl)methyl]amino]methyl]-N-ethyl-1,3-oxazole-4-carboxamide
CID 42835126

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[(2-methoxyphenyl)methyl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[(2-methoxyphenyl)methyl]amino]acetic acid (CID 60833584) is 2-[butan-2-yl-[(2-methoxyphenyl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[(2-methoxyphenyl)methyl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[(2-methoxyphenyl)methyl]amino]acetic acid is CCC(C)N(CC(=O)O)Cc1ccccc1OC.
What is the InChIKey of 2-[butan-2-yl-[(2-methoxyphenyl)methyl]amino]acetic acid?
The InChIKey is DYWWUDPPWLFTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-11(2)15(10-14(16)17)9-12-7-5-6-8-13(12)18-3/h5-8,11H,4,9-10H2,1-3H3,(H,16,17).
What are the key properties of 2-[butan-2-yl-[(2-methoxyphenyl)methyl]amino]acetic acid?
2-[butan-2-yl-[(2-methoxyphenyl)methyl]amino]acetic acid has a molecular weight of 251.33 g/mol, XLogP of 2.38, 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-methoxyphenyl)methyl]amino]acetic acid is sourced from PubChem (CID 60833584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).