(2R)-4-methyl-2-[(5-phenylfuran-2-yl)methylamino]pentanoic acid

C17H21NO3 — CID 95003395

IUPAC(2R)-4-methyl-2-[(5-phenylfuran-2-yl)methylamino]pentanoic acid
SMILESCC(C)C[C@@H](NCc1ccc(-c2ccccc2)o1)C(=O)O
InChIInChI=1S/C17H21NO3/c1-12(2)10-15(17(19)20)18-11-14-8-9-16(21-14)13-6-4-3-5-7-13/h3-9,12,15,18H,10-11H2,1-2H3,(H,19,20)/t15-/m1/s1
InChIKeyQAEFQOXKWJQGEE-OAHLLOKOSA-N
MW287.36 g/mol
LogP3.54
Rot. Bonds7

About (2R)-4-methyl-2-[(5-phenylfuran-2-yl)methylamino]pentanoic acid

(2R)-4-methyl-2-[(5-phenylfuran-2-yl)methylamino]pentanoic acid (PubChem CID 95003395) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is (2R)-4-methyl-2-[(5-phenylfuran-2-yl)methylamino]pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-[(5-phenylfuran-2-yl)methylamino]pentanoic acid
PubChem CID95003395
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name(2R)-4-methyl-2-[(5-phenylfuran-2-yl)methylamino]pentanoic acid
SMILESCC(C)C[C@@H](NCc1ccc(-c2ccccc2)o1)C(=O)O
InChIInChI=1S/C17H21NO3/c1-12(2)10-15(17(19)20)18-11-14-8-9-16(21-14)13-6-4-3-5-7-13/h3-9,12,15,18H,10-11H2,1-2H3,(H,19,20)/t15-/m1/s1
InChIKeyQAEFQOXKWJQGEE-OAHLLOKOSA-N
XLogP3.54
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-methyl-2-[[5-(4-methylphenyl)furan-2-yl]methylamino]pentanoic acid
CID 120510873
2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]-4-methylpentanoic acid
CID 66528004
(2S)-3-methyl-2-[(5-phenylfuran-2-yl)methylamino]butanoic acid
CID 95003392
2-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylamino]-4-methylpentanoic acid
CID 122044068
3-[(5-phenylfuran-2-yl)methylamino]butan-1-ol
CID 111436938
(1R,2R)-1-phenyl-2-[(5-phenylfuran-2-yl)methylamino]propan-1-ol
CID 8621990
2-[[(1-carboxy-3-methylbutyl)amino]methyl]benzoic acid
CID 66527773
(2R)-2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]propanoic acid
CID 95003401
2-[[5-(4-tert-butylphenyl)furan-2-yl]methylamino]hexanoic acid
CID 120510242
2-[[2-carboxy-2-[5-(4-methylphenyl)furan-2-yl]ethyl]amino]-4-methylpentanoic acid
CID 70086148
2-[[5-(4-bromophenyl)furan-2-yl]methylamino]-4-methylsulfanylbutanoic acid
CID 66528016
(2S)-2-[[5-(4-bromophenyl)furan-2-yl]methylamino]-4-methylsulfanylbutanoic acid
CID 99124815

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[(5-phenylfuran-2-yl)methylamino]pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-[(5-phenylfuran-2-yl)methylamino]pentanoic acid (CID 95003395) is (2R)-4-methyl-2-[(5-phenylfuran-2-yl)methylamino]pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-[(5-phenylfuran-2-yl)methylamino]pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-[(5-phenylfuran-2-yl)methylamino]pentanoic acid is CC(C)C[C@@H](NCc1ccc(-c2ccccc2)o1)C(=O)O.
What is the InChIKey of (2R)-4-methyl-2-[(5-phenylfuran-2-yl)methylamino]pentanoic acid?
The InChIKey is QAEFQOXKWJQGEE-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21NO3/c1-12(2)10-15(17(19)20)18-11-14-8-9-16(21-14)13-6-4-3-5-7-13/h3-9,12,15,18H,10-11H2,1-2H3,(H,19,20)/t15-/m1/s1.
What are the key properties of (2R)-4-methyl-2-[(5-phenylfuran-2-yl)methylamino]pentanoic acid?
(2R)-4-methyl-2-[(5-phenylfuran-2-yl)methylamino]pentanoic acid has a molecular weight of 287.36 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[(5-phenylfuran-2-yl)methylamino]pentanoic acid is sourced from PubChem (CID 95003395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).