2-ethyl-2-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]butanoic acid

C16H25NO3 — CID 122129140

IUPAC2-ethyl-2-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]butanoic acid
SMILESCCC(CC)(CNCc1ccc(C2CC2C)o1)C(=O)O
InChIInChI=1S/C16H25NO3/c1-4-16(5-2,15(18)19)10-17-9-12-6-7-14(20-12)13-8-11(13)3/h6-7,11,13,17H,4-5,8-10H2,1-3H3,(H,18,19)
InChIKeyRLZFORRAVJBIIN-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.38
Rot. Bonds8

About 2-ethyl-2-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]butanoic acid

2-ethyl-2-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]butanoic acid (PubChem CID 122129140) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-ethyl-2-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]butanoic acid
PubChem CID122129140
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-ethyl-2-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]butanoic acid
SMILESCCC(CC)(CNCc1ccc(C2CC2C)o1)C(=O)O
InChIInChI=1S/C16H25NO3/c1-4-16(5-2,15(18)19)10-17-9-12-6-7-14(20-12)13-8-11(13)3/h6-7,11,13,17H,4-5,8-10H2,1-3H3,(H,18,19)
InChIKeyRLZFORRAVJBIIN-UHFFFAOYSA-N
XLogP3.38
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-2-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]butanoic acid with MolForge

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Related Compounds

2-methyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butan-2-ol
CID 63932456
2-methyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propan-2-ol
CID 63932071
tert-butyl 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]acetate
CID 112731385
N-[2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]ethyl]acetamide
CID 43182791
2-ethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]butan-1-amine
CID 115584728
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-phenylmethanamine
CID 43177503
4-methoxy-2,2-dimethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]butan-1-amine
CID 104625246
N-methyl-1-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methanamine
CID 7131899
2-ethyl-2-[[[5-(2-fluorophenyl)furan-2-yl]methylamino]methyl]butanoic acid
CID 122129177
N-[(1-methylcyclobutyl)methyl]-1-[5-(2-methylcyclopropyl)furan-2-yl]methanamine
CID 103735997
1-(2-chlorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]methanamine
CID 43178065
2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]-2-phenylacetic acid
CID 62109475

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]butanoic acid?
The IUPAC name of 2-ethyl-2-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]butanoic acid (CID 122129140) is 2-ethyl-2-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]butanoic acid?
The canonical SMILES for 2-ethyl-2-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]butanoic acid is CCC(CC)(CNCc1ccc(C2CC2C)o1)C(=O)O.
What is the InChIKey of 2-ethyl-2-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]butanoic acid?
The InChIKey is RLZFORRAVJBIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-4-16(5-2,15(18)19)10-17-9-12-6-7-14(20-12)13-8-11(13)3/h6-7,11,13,17H,4-5,8-10H2,1-3H3,(H,18,19).
What are the key properties of 2-ethyl-2-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]butanoic acid?
2-ethyl-2-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]butanoic acid has a molecular weight of 279.38 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]butanoic acid is sourced from PubChem (CID 122129140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).