(2R)-2-amino-3-[[5-(2-ethylphenyl)furan-2-carbonyl]amino]propanoic acid

C16H18N2O4 — CID 166627688

IUPAC(2R)-2-amino-3-[[5-(2-ethylphenyl)furan-2-carbonyl]amino]propanoic acid
SMILESCCc1ccccc1-c1ccc(C(=O)NC[C@@H](N)C(=O)O)o1
InChIInChI=1S/C16H18N2O4/c1-2-10-5-3-4-6-11(10)13-7-8-14(22-13)15(19)18-9-12(17)16(20)21/h3-8,12H,2,9,17H2,1H3,(H,18,19)(H,20,21)/t12-/m1/s1
InChIKeyKLRBDAQWQUIZNF-GFCCVEGCSA-N
MW302.33 g/mol
LogP1.65
Rot. Bonds6

About (2R)-2-amino-3-[[5-(2-ethylphenyl)furan-2-carbonyl]amino]propanoic acid

(2R)-2-amino-3-[[5-(2-ethylphenyl)furan-2-carbonyl]amino]propanoic acid (PubChem CID 166627688) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is (2R)-2-amino-3-[[5-(2-ethylphenyl)furan-2-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[[5-(2-ethylphenyl)furan-2-carbonyl]amino]propanoic acid
PubChem CID166627688
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name(2R)-2-amino-3-[[5-(2-ethylphenyl)furan-2-carbonyl]amino]propanoic acid
SMILESCCc1ccccc1-c1ccc(C(=O)NC[C@@H](N)C(=O)O)o1
InChIInChI=1S/C16H18N2O4/c1-2-10-5-3-4-6-11(10)13-7-8-14(22-13)15(19)18-9-12(17)16(20)21/h3-8,12H,2,9,17H2,1H3,(H,18,19)(H,20,21)/t12-/m1/s1
InChIKeyKLRBDAQWQUIZNF-GFCCVEGCSA-N
XLogP1.65
TPSA105.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-3-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]propanoic acid
CID 166627868
(2R)-2-amino-3-[[3-(2-ethylphenyl)-5-fluorobenzoyl]amino]propanoic acid
CID 164526841
5-(2-fluorophenyl)-N-(2-hydroxypropyl)furan-2-carboxamide
CID 78803666
5-(2-fluorophenyl)-N-(2-methylpropyl)furan-2-carboxamide
CID 18106013
N-(3-amino-2-methylpropyl)-5-(2-fluorophenyl)furan-2-carboxamide;hydrochloride
CID 119996463
(2R)-2-amino-3-(furan-2-carbonylamino)propanoic acid
CID 131866589
5-(2-chlorophenyl)-N-ethylfuran-2-carboxamide
CID 51188744
(2R)-2-amino-3-[[7-(2-ethylphenyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid
CID 155457932
5-(2-chlorophenyl)-N-[2-(methylamino)propyl]furan-2-carboxamide;hydrochloride
CID 120827077
2-amino-3-(2-ethylanilino)propanoic acid
CID 103235875
5-(2-chlorophenyl)-N-propylfuran-2-carboxamide
CID 5262410
1-[5-(2-propylphenyl)furan-2-yl]ethanone
CID 62498239

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[[5-(2-ethylphenyl)furan-2-carbonyl]amino]propanoic acid?
The IUPAC name of (2R)-2-amino-3-[[5-(2-ethylphenyl)furan-2-carbonyl]amino]propanoic acid (CID 166627688) is (2R)-2-amino-3-[[5-(2-ethylphenyl)furan-2-carbonyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[[5-(2-ethylphenyl)furan-2-carbonyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-amino-3-[[5-(2-ethylphenyl)furan-2-carbonyl]amino]propanoic acid is CCc1ccccc1-c1ccc(C(=O)NC[C@@H](N)C(=O)O)o1.
What is the InChIKey of (2R)-2-amino-3-[[5-(2-ethylphenyl)furan-2-carbonyl]amino]propanoic acid?
The InChIKey is KLRBDAQWQUIZNF-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-2-10-5-3-4-6-11(10)13-7-8-14(22-13)15(19)18-9-12(17)16(20)21/h3-8,12H,2,9,17H2,1H3,(H,18,19)(H,20,21)/t12-/m1/s1.
What are the key properties of (2R)-2-amino-3-[[5-(2-ethylphenyl)furan-2-carbonyl]amino]propanoic acid?
(2R)-2-amino-3-[[5-(2-ethylphenyl)furan-2-carbonyl]amino]propanoic acid has a molecular weight of 302.33 g/mol, XLogP of 1.65, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[[5-(2-ethylphenyl)furan-2-carbonyl]amino]propanoic acid is sourced from PubChem (CID 166627688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).