methyl 2-(aminomethyl)-3-(furan-2-yl)propanoate

C9H13NO3 — CID 43148182

IUPACmethyl 2-(aminomethyl)-3-(furan-2-yl)propanoate
SMILESCOC(=O)C(CN)Cc1ccco1
InChIInChI=1S/C9H13NO3/c1-12-9(11)7(6-10)5-8-3-2-4-13-8/h2-4,7H,5-6,10H2,1H3
InChIKeyVUOGFDUIYQPFNB-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.57
Rot. Bonds4

About methyl 2-(aminomethyl)-3-(furan-2-yl)propanoate

methyl 2-(aminomethyl)-3-(furan-2-yl)propanoate (PubChem CID 43148182) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is methyl 2-(aminomethyl)-3-(furan-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(aminomethyl)-3-(furan-2-yl)propanoate
PubChem CID43148182
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Namemethyl 2-(aminomethyl)-3-(furan-2-yl)propanoate
SMILESCOC(=O)C(CN)Cc1ccco1
InChIInChI=1S/C9H13NO3/c1-12-9(11)7(6-10)5-8-3-2-4-13-8/h2-4,7H,5-6,10H2,1H3
InChIKeyVUOGFDUIYQPFNB-UHFFFAOYSA-N
XLogP0.57
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 ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-(aminomethyl)-3-(furan-2-yl)propanoate 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

ethyl 2-(aminomethyl)-3-(furan-2-yl)propanoate
CID 43148329
(2R)-2-(furan-2-ylmethyl)-3-methoxy-3-oxopropanoic acid
CID 97184369
methyl (2S)-3-(furan-2-yl)-2-hydroxypropanoate
CID 15638338
methyl 2-(azepan-1-ylmethyl)-3-(furan-2-yl)propanoate
CID 117246343
methyl 2-[(benzylamino)methyl]-3-(furan-2-yl)propanoate
CID 102459243
(2S)-2-(furan-2-ylmethyl)butanoic acid
CID 38989143
methyl (2R)-2-benzamido-3-(furan-2-yl)propanoate
CID 14460596
(2S)-2-(azaniumylmethyl)-3-(furan-2-yl)propanoate
CID 42329415
1-(furan-2-yl)propan-2-yl carbamate
CID 67843163
ethyl 2-amino-3-(furan-2-yl)propanoate
CID 22608494
4-amino-N-(furan-2-ylmethyl)-3-methoxybutanamide
CID 103154043
3-(furan-2-ylmethyl)pentane-2,4-dione
CID 101387929

Frequently Asked Questions

What is the IUPAC name of methyl 2-(aminomethyl)-3-(furan-2-yl)propanoate?
The IUPAC name of methyl 2-(aminomethyl)-3-(furan-2-yl)propanoate (CID 43148182) is methyl 2-(aminomethyl)-3-(furan-2-yl)propanoate.
What is the SMILES notation for methyl 2-(aminomethyl)-3-(furan-2-yl)propanoate?
The canonical SMILES for methyl 2-(aminomethyl)-3-(furan-2-yl)propanoate is COC(=O)C(CN)Cc1ccco1.
What is the InChIKey of methyl 2-(aminomethyl)-3-(furan-2-yl)propanoate?
The InChIKey is VUOGFDUIYQPFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-12-9(11)7(6-10)5-8-3-2-4-13-8/h2-4,7H,5-6,10H2,1H3.
What are the key properties of methyl 2-(aminomethyl)-3-(furan-2-yl)propanoate?
methyl 2-(aminomethyl)-3-(furan-2-yl)propanoate has a molecular weight of 183.21 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(aminomethyl)-3-(furan-2-yl)propanoate is sourced from PubChem (CID 43148182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).