ethyl 2-amino-3-(furan-2-yl)propanoate

C9H13NO3 — CID 22608494

IUPACethyl 2-amino-3-(furan-2-yl)propanoate
SMILESCCOC(=O)C(N)Cc1ccco1
InChIInChI=1S/C9H13NO3/c1-2-12-9(11)8(10)6-7-4-3-5-13-7/h3-5,8H,2,6,10H2,1H3
InChIKeyFJWPNSVWDLNWMB-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.71
Rot. Bonds4

About ethyl 2-amino-3-(furan-2-yl)propanoate

ethyl 2-amino-3-(furan-2-yl)propanoate (PubChem CID 22608494) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is ethyl 2-amino-3-(furan-2-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-(furan-2-yl)propanoate
PubChem CID22608494
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Nameethyl 2-amino-3-(furan-2-yl)propanoate
SMILESCCOC(=O)C(N)Cc1ccco1
InChIInChI=1S/C9H13NO3/c1-2-12-9(11)8(10)6-7-4-3-5-13-7/h3-5,8H,2,6,10H2,1H3
InChIKeyFJWPNSVWDLNWMB-UHFFFAOYSA-N
XLogP0.71
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 ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-amino-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
propyl 3-(furan-2-yl)-2-methylpropanoate
CID 175280714
2-(ethoxycarbonylamino)-3-(furan-2-yl)propanoic acid
CID 68697822
ethyl 2-(furan-2-ylmethylamino)butanoate
CID 64667944
ethyl 2-(furan-2-ylmethoxy)pentanoate
CID 83038819
2-amino-N-[1-(furan-2-yl)propan-2-yl]pentanamide
CID 43705248
(2R)-2-(furan-2-ylmethyl)-3-methoxy-3-oxopropanoic acid
CID 97184369
methyl (2S)-3-(furan-2-yl)-2-hydroxypropanoate
CID 15638338
ethyl (E)-2-amino-5-(furan-2-yl)pent-4-enoate
CID 10976711
ethyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 141026874
2-(2-methylpropyl)furan;propanoic acid
CID 158583493
(2S)-2-amino-N-[1-(furan-2-yl)propan-2-yl]hexanamide
CID 103950106

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(furan-2-yl)propanoate?
The IUPAC name of ethyl 2-amino-3-(furan-2-yl)propanoate (CID 22608494) is ethyl 2-amino-3-(furan-2-yl)propanoate.
What is the SMILES notation for ethyl 2-amino-3-(furan-2-yl)propanoate?
The canonical SMILES for ethyl 2-amino-3-(furan-2-yl)propanoate is CCOC(=O)C(N)Cc1ccco1.
What is the InChIKey of ethyl 2-amino-3-(furan-2-yl)propanoate?
The InChIKey is FJWPNSVWDLNWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-2-12-9(11)8(10)6-7-4-3-5-13-7/h3-5,8H,2,6,10H2,1H3.
What are the key properties of ethyl 2-amino-3-(furan-2-yl)propanoate?
ethyl 2-amino-3-(furan-2-yl)propanoate has a molecular weight of 183.21 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-(furan-2-yl)propanoate is sourced from PubChem (CID 22608494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).