2-[furan-2-ylmethyl(methyl)amino]butanoic acid

C10H15NO3 — CID 43809005

IUPAC2-[furan-2-ylmethyl(methyl)amino]butanoic acid
SMILESCCC(C(=O)O)N(C)Cc1ccco1
InChIInChI=1S/C10H15NO3/c1-3-9(10(12)13)11(2)7-8-5-4-6-14-8/h4-6,9H,3,7H2,1-2H3,(H,12,13)
InChIKeyPZOHCTOAKIIQRW-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.57
Rot. Bonds5

About 2-[furan-2-ylmethyl(methyl)amino]butanoic acid

2-[furan-2-ylmethyl(methyl)amino]butanoic acid (PubChem CID 43809005) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-[furan-2-ylmethyl(methyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[furan-2-ylmethyl(methyl)amino]butanoic acid
PubChem CID43809005
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name2-[furan-2-ylmethyl(methyl)amino]butanoic acid
SMILESCCC(C(=O)O)N(C)Cc1ccco1
InChIInChI=1S/C10H15NO3/c1-3-9(10(12)13)11(2)7-8-5-4-6-14-8/h4-6,9H,3,7H2,1-2H3,(H,12,13)
InChIKeyPZOHCTOAKIIQRW-UHFFFAOYSA-N
XLogP1.57
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[furan-2-ylmethyl(methyl)amino]-2-thiophen-3-ylacetic acid
CID 138003631
(2S)-2-(2,6-dimethoxyphenyl)-2-[furan-2-ylmethyl(methyl)amino]acetic acid
CID 97202360
(2S)-2-(furan-2-ylmethyl)butanoic acid
CID 38989143
2-[(2,6-difluorophenyl)methyl-methylamino]butanoic acid
CID 65068207
2-[ethyl(furan-2-ylmethyl)amino]butanehydrazide
CID 63579097
2-N-(furan-2-ylmethyl)-2-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine
CID 62421172
3-ethyl-1-(furan-2-yl)pentan-2-one
CID 115795583
1-ethyl-1-(furan-2-ylmethyl)-3,3-dimethylurea
CID 115581572
1-[furan-2-ylmethyl(methyl)amino]butan-2-one
CID 62038679
2-[[2-(furan-2-yl)acetyl]-methylamino]-4-methylpentanoic acid
CID 110834473
2-[furan-2-ylmethyl(methyl)amino]propanenitrile
CID 60643804
3-[ethyl-[ethyl(furan-2-ylmethyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62853925

Frequently Asked Questions

What is the IUPAC name of 2-[furan-2-ylmethyl(methyl)amino]butanoic acid?
The IUPAC name of 2-[furan-2-ylmethyl(methyl)amino]butanoic acid (CID 43809005) is 2-[furan-2-ylmethyl(methyl)amino]butanoic acid.
What is the SMILES notation for 2-[furan-2-ylmethyl(methyl)amino]butanoic acid?
The canonical SMILES for 2-[furan-2-ylmethyl(methyl)amino]butanoic acid is CCC(C(=O)O)N(C)Cc1ccco1.
What is the InChIKey of 2-[furan-2-ylmethyl(methyl)amino]butanoic acid?
The InChIKey is PZOHCTOAKIIQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-3-9(10(12)13)11(2)7-8-5-4-6-14-8/h4-6,9H,3,7H2,1-2H3,(H,12,13).
What are the key properties of 2-[furan-2-ylmethyl(methyl)amino]butanoic acid?
2-[furan-2-ylmethyl(methyl)amino]butanoic acid has a molecular weight of 197.23 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[furan-2-ylmethyl(methyl)amino]butanoic acid is sourced from PubChem (CID 43809005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).