2-[cyclopropyl(furan-2-ylmethyl)amino]-3-methylbutanoic acid

C13H19NO3 — CID 55003590

IUPAC2-[cyclopropyl(furan-2-ylmethyl)amino]-3-methylbutanoic acid
SMILESCC(C)C(C(=O)O)N(Cc1ccco1)C1CC1
InChIInChI=1S/C13H19NO3/c1-9(2)12(13(15)16)14(10-5-6-10)8-11-4-3-7-17-11/h3-4,7,9-10,12H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyWPAQOWHTYAMAKG-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.35
Rot. Bonds6

About 2-[cyclopropyl(furan-2-ylmethyl)amino]-3-methylbutanoic acid

2-[cyclopropyl(furan-2-ylmethyl)amino]-3-methylbutanoic acid (PubChem CID 55003590) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[cyclopropyl(furan-2-ylmethyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl(furan-2-ylmethyl)amino]-3-methylbutanoic acid
PubChem CID55003590
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-[cyclopropyl(furan-2-ylmethyl)amino]-3-methylbutanoic acid
SMILESCC(C)C(C(=O)O)N(Cc1ccco1)C1CC1
InChIInChI=1S/C13H19NO3/c1-9(2)12(13(15)16)14(10-5-6-10)8-11-4-3-7-17-11/h3-4,7,9-10,12H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyWPAQOWHTYAMAKG-UHFFFAOYSA-N
XLogP2.35
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopropyl(furan-2-ylmethyl)amino]pentanoic acid
CID 63074216
(2R)-2-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 103927859
4-[cyclopropyl(furan-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782822
N-cyclopropyl-N-(furan-2-ylmethyl)benzamide
CID 47022966
2-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 55003505
2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-1-N-prop-2-enylpropane-1,2-diamine
CID 55087669
(2S)-2-amino-N-[2-[cyclopropyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3-methylbutanamide
CID 82963604
4-[cyclopropyl(furan-2-ylmethyl)amino]-2-ethoxybutanoic acid
CID 63074910
3-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pentanamide
CID 81087169
2-[[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]methyl]pentanoic acid
CID 65222818
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-2-methylpropanamide
CID 3988895
2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-1-N-(2-methylbutan-2-yl)propane-1,2-diamine
CID 62569642

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(furan-2-ylmethyl)amino]-3-methylbutanoic acid?
The IUPAC name of 2-[cyclopropyl(furan-2-ylmethyl)amino]-3-methylbutanoic acid (CID 55003590) is 2-[cyclopropyl(furan-2-ylmethyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for 2-[cyclopropyl(furan-2-ylmethyl)amino]-3-methylbutanoic acid?
The canonical SMILES for 2-[cyclopropyl(furan-2-ylmethyl)amino]-3-methylbutanoic acid is CC(C)C(C(=O)O)N(Cc1ccco1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(furan-2-ylmethyl)amino]-3-methylbutanoic acid?
The InChIKey is WPAQOWHTYAMAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9(2)12(13(15)16)14(10-5-6-10)8-11-4-3-7-17-11/h3-4,7,9-10,12H,5-6,8H2,1-2H3,(H,15,16).
What are the key properties of 2-[cyclopropyl(furan-2-ylmethyl)amino]-3-methylbutanoic acid?
2-[cyclopropyl(furan-2-ylmethyl)amino]-3-methylbutanoic acid has a molecular weight of 237.30 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(furan-2-ylmethyl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 55003590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).