methyl 4-amino-3-(furan-3-yl)butanoate

C9H13NO3 — CID 66096201

IUPACmethyl 4-amino-3-(furan-3-yl)butanoate
SMILESCOC(=O)CC(CN)c1ccoc1
InChIInChI=1S/C9H13NO3/c1-12-9(11)4-8(5-10)7-2-3-13-6-7/h2-3,6,8H,4-5,10H2,1H3
InChIKeyIXENFGHDKIBDKR-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.88
Rot. Bonds4

About methyl 4-amino-3-(furan-3-yl)butanoate

methyl 4-amino-3-(furan-3-yl)butanoate (PubChem CID 66096201) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is methyl 4-amino-3-(furan-3-yl)butanoate.

Molecular Properties

Compound Namemethyl 4-amino-3-(furan-3-yl)butanoate
PubChem CID66096201
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Namemethyl 4-amino-3-(furan-3-yl)butanoate
SMILESCOC(=O)CC(CN)c1ccoc1
InChIInChI=1S/C9H13NO3/c1-12-9(11)4-8(5-10)7-2-3-13-6-7/h2-3,6,8H,4-5,10H2,1H3
InChIKeyIXENFGHDKIBDKR-UHFFFAOYSA-N
XLogP0.88
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-amino-3-(furan-3-yl)butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (3R)-4-amino-3-phenylbutanoate
CID 13314421
methyl 4-amino-3-(furan-3-yl)hexanoate
CID 66097088
methyl 4-amino-3-phenylbutanoate;hydrochloride
CID 68748102
methyl 4-amino-3-thiophen-3-ylbutanoate
CID 101126903
methyl 4-amino-3-(5-methylfuran-2-yl)butanoate
CID 66099339
methyl 4-amino-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butanoate
CID 66096414
methyl 4-amino-3-(1-propylpyrazol-4-yl)butanoate
CID 103573475
[(1R)-3-ethoxy-1-(furan-3-yl)-3-oxopropyl]azanium
CID 7015544
methyl 4-amino-3-(2,3-difluorophenyl)butanoate
CID 66096205
methyl 3-(furan-3-yl)-2-methyl-3-sulfanylpropanoate
CID 20649170
ethyl 3-(furan-3-yl)-2,3-dihydroxypropanoate
CID 171865500
ethyl 2-fluoro-2-(furan-3-yl)acetate
CID 79366156

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-(furan-3-yl)butanoate?
The IUPAC name of methyl 4-amino-3-(furan-3-yl)butanoate (CID 66096201) is methyl 4-amino-3-(furan-3-yl)butanoate.
What is the SMILES notation for methyl 4-amino-3-(furan-3-yl)butanoate?
The canonical SMILES for methyl 4-amino-3-(furan-3-yl)butanoate is COC(=O)CC(CN)c1ccoc1.
What is the InChIKey of methyl 4-amino-3-(furan-3-yl)butanoate?
The InChIKey is IXENFGHDKIBDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-12-9(11)4-8(5-10)7-2-3-13-6-7/h2-3,6,8H,4-5,10H2,1H3.
What are the key properties of methyl 4-amino-3-(furan-3-yl)butanoate?
methyl 4-amino-3-(furan-3-yl)butanoate has a molecular weight of 183.21 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-(furan-3-yl)butanoate is sourced from PubChem (CID 66096201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).