2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]-2-phenylacetic acid

C17H19NO3 — CID 62109475

IUPAC2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]-2-phenylacetic acid
SMILESCC1CC1c1ccc(CNC(C(=O)O)c2ccccc2)o1
InChIInChI=1S/C17H19NO3/c1-11-9-14(11)15-8-7-13(21-15)10-18-16(17(19)20)12-5-3-2-4-6-12/h2-8,11,14,16,18H,9-10H2,1H3,(H,19,20)
InChIKeyIKBOEHNLBWCVKP-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.32
Rot. Bonds6

About 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]-2-phenylacetic acid

2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]-2-phenylacetic acid (PubChem CID 62109475) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]-2-phenylacetic acid
PubChem CID62109475
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]-2-phenylacetic acid
SMILESCC1CC1c1ccc(CNC(C(=O)O)c2ccccc2)o1
InChIInChI=1S/C17H19NO3/c1-11-9-14(11)15-8-7-13(21-15)10-18-16(17(19)20)12-5-3-2-4-6-12/h2-8,11,14,16,18H,9-10H2,1H3,(H,19,20)
InChIKeyIKBOEHNLBWCVKP-UHFFFAOYSA-N
XLogP3.32
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]-2-phenylethanol
CID 63182317
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-phenyl-1-pyridin-2-ylmethanamine
CID 42919824
methyl 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propanoate
CID 60780737
methyl 3-methyl-2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butanoate
CID 54917626
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-phenylmethanamine
CID 43177503
N,N-diethyl-2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propanamide
CID 43739403
2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one
CID 115588959
3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butan-1-ol
CID 78998178
(1R)-1-(2-chlorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine
CID 81377243
1-(4-fluorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine
CID 43180811
(1S)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-pyridin-2-ylethanamine
CID 78978055
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43230736

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]-2-phenylacetic acid?
The IUPAC name of 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]-2-phenylacetic acid (CID 62109475) is 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]-2-phenylacetic acid.
What is the SMILES notation for 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]-2-phenylacetic acid?
The canonical SMILES for 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]-2-phenylacetic acid is CC1CC1c1ccc(CNC(C(=O)O)c2ccccc2)o1.
What is the InChIKey of 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]-2-phenylacetic acid?
The InChIKey is IKBOEHNLBWCVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-11-9-14(11)15-8-7-13(21-15)10-18-16(17(19)20)12-5-3-2-4-6-12/h2-8,11,14,16,18H,9-10H2,1H3,(H,19,20).
What are the key properties of 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]-2-phenylacetic acid?
2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]-2-phenylacetic acid has a molecular weight of 285.34 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]-2-phenylacetic acid is sourced from PubChem (CID 62109475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).