(3S)-3-(3,4-dimethoxyphenyl)-3-(furan-2-carbonylamino)propanoate

C16H16NO6- — CID 6943067

IUPAC(3S)-3-(3,4-dimethoxyphenyl)-3-(furan-2-carbonylamino)propanoate
SMILESCOc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccco2)cc1OC
InChIInChI=1S/C16H17NO6/c1-21-12-6-5-10(8-14(12)22-2)11(9-15(18)19)17-16(20)13-4-3-7-23-13/h3-8,11H,9H2,1-2H3,(H,17,20)(H,18,19)/p-1/t11-/m0/s1
InChIKeyITCRVQYXNASVEK-NSHDSACASA-M
MW318.31 g/mol
LogP0.91
Rot. Bonds7

About (3S)-3-(3,4-dimethoxyphenyl)-3-(furan-2-carbonylamino)propanoate

(3S)-3-(3,4-dimethoxyphenyl)-3-(furan-2-carbonylamino)propanoate (PubChem CID 6943067) has the molecular formula C16H16NO6- and a molecular weight of 318.31 g/mol. Its IUPAC name is (3S)-3-(3,4-dimethoxyphenyl)-3-(furan-2-carbonylamino)propanoate.

Molecular Properties

Compound Name(3S)-3-(3,4-dimethoxyphenyl)-3-(furan-2-carbonylamino)propanoate
PubChem CID6943067
Molecular FormulaC16H16NO6-
Molecular Weight318.31 g/mol
Exact Mass318.10
IUPAC Name(3S)-3-(3,4-dimethoxyphenyl)-3-(furan-2-carbonylamino)propanoate
SMILESCOc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccco2)cc1OC
InChIInChI=1S/C16H17NO6/c1-21-12-6-5-10(8-14(12)22-2)11(9-15(18)19)17-16(20)13-4-3-7-23-13/h3-8,11H,9H2,1-2H3,(H,17,20)(H,18,19)/p-1/t11-/m0/s1
InChIKeyITCRVQYXNASVEK-NSHDSACASA-M
XLogP0.91
TPSA100.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.31
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S)-3-(3,4-dimethoxyphenyl)-3-(furan-2-carbonylamino)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

(3S)-3-(3,4-dimethoxyphenyl)-3-[(2-phenylacetyl)amino]propanoate
CID 6926087
(3S)-3-(furan-2-carbonylamino)-3-phenylpropanoate
CID 6942649
(3R)-3-(4-tert-butylphenyl)-3-(furan-2-carbonylamino)propanoate
CID 6926226
(3S)-3-(3,4-dimethoxyphenyl)-3-[(2-fluorobenzoyl)amino]propanoate
CID 6926618
(3R)-3-[(3,4-dichlorobenzoyl)amino]-3-(3,4-dimethoxyphenyl)propanoate
CID 7300191
N-[(R)-(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]furan-2-carboxamide
CID 1128199
3-(3,4-dimethoxyphenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate
CID 3511694
N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]furan-2-carboxamide
CID 110314871
3-(4-ethoxy-3-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanoate
CID 3466163
3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-3-[(2-phenylacetyl)amino]propanoate
CID 3465786
(3S)-3-[(3,4-dimethoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 6988874
N-[(R)-(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 26434973

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3,4-dimethoxyphenyl)-3-(furan-2-carbonylamino)propanoate?
The IUPAC name of (3S)-3-(3,4-dimethoxyphenyl)-3-(furan-2-carbonylamino)propanoate (CID 6943067) is (3S)-3-(3,4-dimethoxyphenyl)-3-(furan-2-carbonylamino)propanoate.
What is the SMILES notation for (3S)-3-(3,4-dimethoxyphenyl)-3-(furan-2-carbonylamino)propanoate?
The canonical SMILES for (3S)-3-(3,4-dimethoxyphenyl)-3-(furan-2-carbonylamino)propanoate is COc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccco2)cc1OC.
What is the InChIKey of (3S)-3-(3,4-dimethoxyphenyl)-3-(furan-2-carbonylamino)propanoate?
The InChIKey is ITCRVQYXNASVEK-NSHDSACASA-M. The full InChI is InChI=1S/C16H17NO6/c1-21-12-6-5-10(8-14(12)22-2)11(9-15(18)19)17-16(20)13-4-3-7-23-13/h3-8,11H,9H2,1-2H3,(H,17,20)(H,18,19)/p-1/t11-/m0/s1.
What are the key properties of (3S)-3-(3,4-dimethoxyphenyl)-3-(furan-2-carbonylamino)propanoate?
(3S)-3-(3,4-dimethoxyphenyl)-3-(furan-2-carbonylamino)propanoate has a molecular weight of 318.31 g/mol, XLogP of 0.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3,4-dimethoxyphenyl)-3-(furan-2-carbonylamino)propanoate is sourced from PubChem (CID 6943067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).