2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylacetic acid

C15H17NO3 — CID 43526412

IUPAC2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylacetic acid
SMILESCc1ccc(CN(C)C(C(=O)O)c2ccccc2)o1
InChIInChI=1S/C15H17NO3/c1-11-8-9-13(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)
InChIKeyPRRYDGYWMVDDOT-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.85
Rot. Bonds5

About 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylacetic acid

2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylacetic acid (PubChem CID 43526412) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylacetic acid
PubChem CID43526412
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylacetic acid
SMILESCc1ccc(CN(C)C(C(=O)O)c2ccccc2)o1
InChIInChI=1S/C15H17NO3/c1-11-8-9-13(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)
InChIKeyPRRYDGYWMVDDOT-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

2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylacetohydrazide
CID 63573476
(2R)-2-(1,3-benzodioxol-5-yl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetic acid
CID 97195880
(2R)-N-(2,5-dimethylphenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylacetamide
CID 9103359
N-(3-acetylphenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylacetamide
CID 17453268
(3R)-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylpropan-1-ol
CID 97159613
(2S)-N-(2-chloro-4-nitrophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylacetamide
CID 9103450
3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-phenylpropan-1-ol
CID 62611936
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-2-phenylacetic acid
CID 61426935
3-[methyl-[(5-methylfuran-2-yl)methyl]amino]pentanoic acid
CID 63067752
2-[(2-chlorophenyl)methyl-methylamino]-2-phenylacetic acid
CID 61416812
(2S)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-N-(2-phenylphenyl)propanamide
CID 9102051
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-phenylacetic acid
CID 61441934

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylacetic acid?
The IUPAC name of 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylacetic acid (CID 43526412) is 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylacetic acid?
The canonical SMILES for 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylacetic acid is Cc1ccc(CN(C)C(C(=O)O)c2ccccc2)o1.
What is the InChIKey of 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylacetic acid?
The InChIKey is PRRYDGYWMVDDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-11-8-9-13(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-[(5-methylfuran-2-yl)methyl]amino]-2-phenylacetic acid?
2-[methyl-[(5-methylfuran-2-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-[(5-methylfuran-2-yl)methyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 43526412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).