(2R)-2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]-2-phenylacetic acid

C15H15NO4S — CID 61145316

IUPAC(2R)-2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]-2-phenylacetic acid
SMILESCSCc1ccc(C(=O)N[C@@H](C(=O)O)c2ccccc2)o1
InChIInChI=1S/C15H15NO4S/c1-21-9-11-7-8-12(20-11)14(17)16-13(15(18)19)10-5-3-2-4-6-10/h2-8,13H,9H2,1H3,(H,16,17)(H,18,19)/t13-/m1/s1
InChIKeyGHJMXDDUJKKYOC-CYBMUJFWSA-N
MW305.36 g/mol
LogP2.70
Rot. Bonds6

About (2R)-2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]-2-phenylacetic acid

(2R)-2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]-2-phenylacetic acid (PubChem CID 61145316) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is (2R)-2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]-2-phenylacetic acid
PubChem CID61145316
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name(2R)-2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]-2-phenylacetic acid
SMILESCSCc1ccc(C(=O)N[C@@H](C(=O)O)c2ccccc2)o1
InChIInChI=1S/C15H15NO4S/c1-21-9-11-7-8-12(20-11)14(17)16-13(15(18)19)10-5-3-2-4-6-10/h2-8,13H,9H2,1H3,(H,16,17)(H,18,19)/t13-/m1/s1
InChIKeyGHJMXDDUJKKYOC-CYBMUJFWSA-N
XLogP2.70
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(5-ethylfuran-2-carbonyl)amino]-2-phenylacetic acid
CID 61143786
N-[(1R)-2-hydroxy-1-phenylethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 103944448
4-methyl-2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]pentanoic acid
CID 43170140
2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]pentanedioic acid
CID 60830807
(2S)-3-methyl-2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]pentanoic acid
CID 61172054
2-[(5-bromofuran-2-carbonyl)amino]-2-phenylacetic acid
CID 16792434
N-methyl-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 60637044
(2R)-5-amino-2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]-5-oxopentanoic acid
CID 107829842
N-(4-hydroxy-3-methylbutan-2-yl)-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 113339313
N-(1-hydroxy-3-methylbutan-2-yl)-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 79253016
2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]-4-methylsulfonylbutanoic acid
CID 43358779
N-(3-methylbutan-2-yl)-5-(phenylsulfanylmethyl)furan-2-carboxamide
CID 43056886

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]-2-phenylacetic acid (CID 61145316) is (2R)-2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]-2-phenylacetic acid is CSCc1ccc(C(=O)N[C@@H](C(=O)O)c2ccccc2)o1.
What is the InChIKey of (2R)-2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]-2-phenylacetic acid?
The InChIKey is GHJMXDDUJKKYOC-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-21-9-11-7-8-12(20-11)14(17)16-13(15(18)19)10-5-3-2-4-6-10/h2-8,13H,9H2,1H3,(H,16,17)(H,18,19)/t13-/m1/s1.
What are the key properties of (2R)-2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]-2-phenylacetic acid?
(2R)-2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]-2-phenylacetic acid has a molecular weight of 305.36 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 61145316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).