(3R)-3-(4-tert-butylphenyl)-3-(furan-2-carbonylamino)propanoate

C18H20NO4- — CID 6926226

IUPAC(3R)-3-(4-tert-butylphenyl)-3-(furan-2-carbonylamino)propanoate
SMILESCC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccco2)cc1
InChIInChI=1S/C18H21NO4/c1-18(2,3)13-8-6-12(7-9-13)14(11-16(20)21)19-17(22)15-5-4-10-23-15/h4-10,14H,11H2,1-3H3,(H,19,22)(H,20,21)/p-1/t14-/m1/s1
InChIKeyWXRYWWVHGLSKGB-CQSZACIVSA-M
MW314.36 g/mol
LogP2.19
Rot. Bonds5

About (3R)-3-(4-tert-butylphenyl)-3-(furan-2-carbonylamino)propanoate

(3R)-3-(4-tert-butylphenyl)-3-(furan-2-carbonylamino)propanoate (PubChem CID 6926226) has the molecular formula C18H20NO4- and a molecular weight of 314.36 g/mol. Its IUPAC name is (3R)-3-(4-tert-butylphenyl)-3-(furan-2-carbonylamino)propanoate.

Molecular Properties

Compound Name(3R)-3-(4-tert-butylphenyl)-3-(furan-2-carbonylamino)propanoate
PubChem CID6926226
Molecular FormulaC18H20NO4-
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name(3R)-3-(4-tert-butylphenyl)-3-(furan-2-carbonylamino)propanoate
SMILESCC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccco2)cc1
InChIInChI=1S/C18H21NO4/c1-18(2,3)13-8-6-12(7-9-13)14(11-16(20)21)19-17(22)15-5-4-10-23-15/h4-10,14H,11H2,1-3H3,(H,19,22)(H,20,21)/p-1/t14-/m1/s1
InChIKeyWXRYWWVHGLSKGB-CQSZACIVSA-M
XLogP2.19
TPSA82.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(furan-2-carbonylamino)-3-phenylpropanoate
CID 6942649
(3S)-3-(3,4-dimethoxyphenyl)-3-(furan-2-carbonylamino)propanoate
CID 6943067
(3S)-3-(4-fluorophenyl)-3-(furan-2-carbonylamino)propanoic acid
CID 783067
(2S)-2-(furan-2-carbonylamino)butanedioate
CID 6923142
(3S)-3-(4-tert-butylphenyl)-3-[(3,4-dichlorobenzoyl)amino]propanoate
CID 7310435
(3S)-3-(4-ethoxyphenyl)-3-(furan-2-carbonylamino)propanoic acid
CID 738792
(3S)-3-(4-tert-butylphenyl)-3-[[2-(4-chlorophenyl)acetyl]amino]propanoate
CID 7300065
(3S)-3-(4-tert-butylphenyl)-3-[(2,4-dichlorobenzoyl)amino]propanoate
CID 7305724
ethyl 3-(4-ethoxyphenyl)-3-(furan-2-carbonylamino)propanoate
CID 3541433
N-[(1R)-1-phenylbutyl]furan-2-carboxamide
CID 29086850
N-[1-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]furan-2-carboxamide
CID 4829465
(3R)-3-(4-tert-butylphenyl)-3-[(2,4-dimethoxybenzoyl)amino]propanoate
CID 7343428

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-tert-butylphenyl)-3-(furan-2-carbonylamino)propanoate?
The IUPAC name of (3R)-3-(4-tert-butylphenyl)-3-(furan-2-carbonylamino)propanoate (CID 6926226) is (3R)-3-(4-tert-butylphenyl)-3-(furan-2-carbonylamino)propanoate.
What is the SMILES notation for (3R)-3-(4-tert-butylphenyl)-3-(furan-2-carbonylamino)propanoate?
The canonical SMILES for (3R)-3-(4-tert-butylphenyl)-3-(furan-2-carbonylamino)propanoate is CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccco2)cc1.
What is the InChIKey of (3R)-3-(4-tert-butylphenyl)-3-(furan-2-carbonylamino)propanoate?
The InChIKey is WXRYWWVHGLSKGB-CQSZACIVSA-M. The full InChI is InChI=1S/C18H21NO4/c1-18(2,3)13-8-6-12(7-9-13)14(11-16(20)21)19-17(22)15-5-4-10-23-15/h4-10,14H,11H2,1-3H3,(H,19,22)(H,20,21)/p-1/t14-/m1/s1.
What are the key properties of (3R)-3-(4-tert-butylphenyl)-3-(furan-2-carbonylamino)propanoate?
(3R)-3-(4-tert-butylphenyl)-3-(furan-2-carbonylamino)propanoate has a molecular weight of 314.36 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-tert-butylphenyl)-3-(furan-2-carbonylamino)propanoate is sourced from PubChem (CID 6926226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).