2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-2-phenylacetic acid

C15H17NO3 — CID 61426935

IUPAC2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-2-phenylacetic acid
SMILESCc1occc1CN(C)C(C(=O)O)c1ccccc1
InChIInChI=1S/C15H17NO3/c1-11-13(8-9-19-11)10-16(2)14(15(17)18)12-6-4-3-5-7-12/h3-9,14H,10H2,1-2H3,(H,17,18)
InChIKeyHBLFEEYJEBYRTF-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.85
Rot. Bonds5

About 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-2-phenylacetic acid

2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-2-phenylacetic acid (PubChem CID 61426935) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-2-phenylacetic acid
PubChem CID61426935
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-2-phenylacetic acid
SMILESCc1occc1CN(C)C(C(=O)O)c1ccccc1
InChIInChI=1S/C15H17NO3/c1-11-13(8-9-19-11)10-16(2)14(15(17)18)12-6-4-3-5-7-12/h3-9,14H,10H2,1-2H3,(H,17,18)
InChIKeyHBLFEEYJEBYRTF-UHFFFAOYSA-N
XLogP2.85
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-phenylacetamide
CID 61426697
2-[(2-chlorophenyl)methyl-methylamino]-2-phenylacetic acid
CID 61416812
2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylacetic acid
CID 43526412
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-phenylethanol
CID 61371435
3-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-phenyl-3-sulfanylidenepropanamide
CID 62877910
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanamide
CID 61371044
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-phenylethanone
CID 62036219
N-(2-aminophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanamide
CID 61426661
N-methyl-N-[(2-methylfuran-3-yl)methyl]hydroxylamine
CID 96732982
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-phenylacetic acid
CID 61441934
4-amino-3-[methyl-[(2-methylfuran-3-yl)methyl]amino]butanamide
CID 66426470
(E)-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]-4-oxobut-2-enoic acid
CID 82238971

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-2-phenylacetic acid?
The IUPAC name of 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-2-phenylacetic acid (CID 61426935) is 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-2-phenylacetic acid?
The canonical SMILES for 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-2-phenylacetic acid is Cc1occc1CN(C)C(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-2-phenylacetic acid?
The InChIKey is HBLFEEYJEBYRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-11-13(8-9-19-11)10-16(2)14(15(17)18)12-6-4-3-5-7-12/h3-9,14H,10H2,1-2H3,(H,17,18).
What are the key properties of 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-2-phenylacetic acid?
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-2-phenylacetic acid has a molecular weight of 259.31 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 61426935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).