4-[cyclopropyl(furan-2-ylmethyl)amino]-2-ethoxybutanoic acid

C14H21NO4 — CID 63074910

IUPAC4-[cyclopropyl(furan-2-ylmethyl)amino]-2-ethoxybutanoic acid
SMILESCCOC(CCN(Cc1ccco1)C1CC1)C(=O)O
InChIInChI=1S/C14H21NO4/c1-2-18-13(14(16)17)7-8-15(11-5-6-11)10-12-4-3-9-19-12/h3-4,9,11,13H,2,5-8,10H2,1H3,(H,16,17)
InChIKeyJUVDNLRGLYXCOB-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.12
Rot. Bonds9

About 4-[cyclopropyl(furan-2-ylmethyl)amino]-2-ethoxybutanoic acid

4-[cyclopropyl(furan-2-ylmethyl)amino]-2-ethoxybutanoic acid (PubChem CID 63074910) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 4-[cyclopropyl(furan-2-ylmethyl)amino]-2-ethoxybutanoic acid.

Molecular Properties

Compound Name4-[cyclopropyl(furan-2-ylmethyl)amino]-2-ethoxybutanoic acid
PubChem CID63074910
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name4-[cyclopropyl(furan-2-ylmethyl)amino]-2-ethoxybutanoic acid
SMILESCCOC(CCN(Cc1ccco1)C1CC1)C(=O)O
InChIInChI=1S/C14H21NO4/c1-2-18-13(14(16)17)7-8-15(11-5-6-11)10-12-4-3-9-19-12/h3-4,9,11,13H,2,5-8,10H2,1H3,(H,16,17)
InChIKeyJUVDNLRGLYXCOB-UHFFFAOYSA-N
XLogP2.12
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-ethoxybutanoic acid
CID 55147673
N'-cyclopropyl-N'-(furan-2-ylmethyl)-2-methoxybutane-1,4-diamine
CID 103152377
3-[cyclopropyl(furan-2-ylmethyl)amino]-1-phenylpropan-1-one
CID 62612099
N-(furan-2-ylmethyl)-N-(2-methoxyethyl)cyclopropanamine
CID 47023472
ethyl (E)-4-[cyclopropyl(furan-2-ylmethyl)amino]but-2-enoate
CID 80549181
1-N-cyclopropyl-3-N-ethyl-1-N-(furan-2-ylmethyl)-4,4-dimethylpentane-1,3-diamine
CID 62623373
1-N-cyclopropyl-1-N-(furan-2-ylmethyl)-3-N,4,4-trimethylpentane-1,3-diamine
CID 62623196
2-ethoxy-3-(furan-2-ylmethoxy)propanoic acid
CID 63074632
2-[cyclopropyl(furan-2-ylmethyl)amino]-3-methylbutanoic acid
CID 55003590
2-[cyclopropyl(ethyl)amino]-N-(furan-2-ylmethyl)-N-phenylacetamide
CID 78877019
4-[cyclopropyl(furan-2-ylmethyl)amino]but-2-enoic acid
CID 76940913
N'-cyclopropyl-N'-(furan-2-ylmethyl)-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 62556893

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(furan-2-ylmethyl)amino]-2-ethoxybutanoic acid?
The IUPAC name of 4-[cyclopropyl(furan-2-ylmethyl)amino]-2-ethoxybutanoic acid (CID 63074910) is 4-[cyclopropyl(furan-2-ylmethyl)amino]-2-ethoxybutanoic acid.
What is the SMILES notation for 4-[cyclopropyl(furan-2-ylmethyl)amino]-2-ethoxybutanoic acid?
The canonical SMILES for 4-[cyclopropyl(furan-2-ylmethyl)amino]-2-ethoxybutanoic acid is CCOC(CCN(Cc1ccco1)C1CC1)C(=O)O.
What is the InChIKey of 4-[cyclopropyl(furan-2-ylmethyl)amino]-2-ethoxybutanoic acid?
The InChIKey is JUVDNLRGLYXCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-2-18-13(14(16)17)7-8-15(11-5-6-11)10-12-4-3-9-19-12/h3-4,9,11,13H,2,5-8,10H2,1H3,(H,16,17).
What are the key properties of 4-[cyclopropyl(furan-2-ylmethyl)amino]-2-ethoxybutanoic acid?
4-[cyclopropyl(furan-2-ylmethyl)amino]-2-ethoxybutanoic acid has a molecular weight of 267.32 g/mol, XLogP of 2.12, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(furan-2-ylmethyl)amino]-2-ethoxybutanoic acid is sourced from PubChem (CID 63074910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).