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

C14H13ClN2O4 — CID 166627868

IUPAC(2R)-2-amino-3-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]propanoic acid
SMILESN[C@H](CNC(=O)c1ccc(-c2ccccc2Cl)o1)C(=O)O
InChIInChI=1S/C14H13ClN2O4/c15-9-4-2-1-3-8(9)11-5-6-12(21-11)13(18)17-7-10(16)14(19)20/h1-6,10H,7,16H2,(H,17,18)(H,19,20)/t10-/m1/s1
InChIKeyUENVVEZSVBSHPN-SNVBAGLBSA-N
MW308.72 g/mol
LogP1.74
Rot. Bonds5

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

(2R)-2-amino-3-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]propanoic acid (PubChem CID 166627868) has the molecular formula C14H13ClN2O4 and a molecular weight of 308.72 g/mol. Its IUPAC name is (2R)-2-amino-3-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]propanoic acid
PubChem CID166627868
Molecular FormulaC14H13ClN2O4
Molecular Weight308.72 g/mol
Exact Mass308.06
IUPAC Name(2R)-2-amino-3-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]propanoic acid
SMILESN[C@H](CNC(=O)c1ccc(-c2ccccc2Cl)o1)C(=O)O
InChIInChI=1S/C14H13ClN2O4/c15-9-4-2-1-3-8(9)11-5-6-12(21-11)13(18)17-7-10(16)14(19)20/h1-6,10H,7,16H2,(H,17,18)(H,19,20)/t10-/m1/s1
InChIKeyUENVVEZSVBSHPN-SNVBAGLBSA-N
XLogP1.74
TPSA105.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.72
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-3-[[5-(2-ethylphenyl)furan-2-carbonyl]amino]propanoic acid
CID 166627688
5-(2-chlorophenyl)-N-[2-(methylamino)propyl]furan-2-carboxamide;hydrochloride
CID 120827077
5-(2-chlorophenyl)-N-ethylfuran-2-carboxamide
CID 51188744
5-(2-chlorophenyl)-N-(2-hydroxyethyl)furan-2-carboxamide
CID 78800704
5-(2-chlorophenyl)-N-propylfuran-2-carboxamide
CID 5262410
N-(4-amino-4-oxobutyl)-5-(2-chlorophenyl)furan-2-carboxamide
CID 56812733
5-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 9083579
5-(2-chlorophenyl)-N-(1-phenylethyl)furan-2-carboxamide
CID 5262420
(2R)-2-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]-3-methylbutanoic acid
CID 119368356
5-(2-chlorophenyl)-N-[2-(ethylamino)ethyl]furan-2-carboxamide
CID 119505945
5-(2-chlorophenyl)furan-2-carboxylic acid
CID 784625
5-(2-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]furan-2-carboxamide
CID 9080736

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]propanoic acid?
The IUPAC name of (2R)-2-amino-3-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]propanoic acid (CID 166627868) is (2R)-2-amino-3-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-amino-3-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]propanoic acid is N[C@H](CNC(=O)c1ccc(-c2ccccc2Cl)o1)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]propanoic acid?
The InChIKey is UENVVEZSVBSHPN-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H13ClN2O4/c15-9-4-2-1-3-8(9)11-5-6-12(21-11)13(18)17-7-10(16)14(19)20/h1-6,10H,7,16H2,(H,17,18)(H,19,20)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-3-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]propanoic acid?
(2R)-2-amino-3-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]propanoic acid has a molecular weight of 308.72 g/mol, XLogP of 1.74, 5 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-chlorophenyl)furan-2-carbonyl]amino]propanoic acid is sourced from PubChem (CID 166627868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).