(2R)-2-[[5-(4-acetylphenyl)furan-2-carbonyl]amino]-4-methylpentanoic acid

C19H21NO5 — CID 119363534

IUPAC(2R)-2-[[5-(4-acetylphenyl)furan-2-carbonyl]amino]-4-methylpentanoic acid
SMILESCC(=O)c1ccc(-c2ccc(C(=O)N[C@H](CC(C)C)C(=O)O)o2)cc1
InChIInChI=1S/C19H21NO5/c1-11(2)10-15(19(23)24)20-18(22)17-9-8-16(25-17)14-6-4-13(5-7-14)12(3)21/h4-9,11,15H,10H2,1-3H3,(H,20,22)(H,23,24)/t15-/m1/s1
InChIKeyZSFNXJOQUBLWFH-OAHLLOKOSA-N
MW343.38 g/mol
LogP3.38
Rot. Bonds7

About (2R)-2-[[5-(4-acetylphenyl)furan-2-carbonyl]amino]-4-methylpentanoic acid

(2R)-2-[[5-(4-acetylphenyl)furan-2-carbonyl]amino]-4-methylpentanoic acid (PubChem CID 119363534) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is (2R)-2-[[5-(4-acetylphenyl)furan-2-carbonyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[5-(4-acetylphenyl)furan-2-carbonyl]amino]-4-methylpentanoic acid
PubChem CID119363534
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name(2R)-2-[[5-(4-acetylphenyl)furan-2-carbonyl]amino]-4-methylpentanoic acid
SMILESCC(=O)c1ccc(-c2ccc(C(=O)N[C@H](CC(C)C)C(=O)O)o2)cc1
InChIInChI=1S/C19H21NO5/c1-11(2)10-15(19(23)24)20-18(22)17-9-8-16(25-17)14-6-4-13(5-7-14)12(3)21/h4-9,11,15H,10H2,1-3H3,(H,20,22)(H,23,24)/t15-/m1/s1
InChIKeyZSFNXJOQUBLWFH-OAHLLOKOSA-N
XLogP3.38
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-acetylbenzoyl)amino]-4-methylpentanoic acid
CID 119188047
(2S)-2-[(4-acetylbenzoyl)amino]-4-methylpentanoic acid
CID 119361717
(2R)-2-[(5-bromofuran-2-carbonyl)amino]-4-methylpentanoic acid
CID 30077278
methyl 2-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]-4-methylpentanoate
CID 3646174
2-[[5-(4-ethylphenyl)furan-2-carbonyl]amino]butanoic acid
CID 119223716
(2S)-2-[(5-phenylfuran-2-carbonyl)amino]butanedioic acid
CID 169205444
4-methyl-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 17380410
(2S)-2-[(4-ethylbenzoyl)amino]-4-methylpentanoic acid
CID 971688
5-(4-acetylphenyl)-N-[2-(ethylamino)-2-oxoethyl]furan-2-carboxamide
CID 18145659
4-methyl-2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]pentanoic acid
CID 43170140
(2S)-2-[[4-(4-hydroxyphenyl)benzoyl]amino]-4-methylpentanoic acid
CID 91416190
5-(4-acetylphenyl)-N-[1-(4-chlorophenyl)propyl]furan-2-carboxamide
CID 16602950

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[5-(4-acetylphenyl)furan-2-carbonyl]amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[[5-(4-acetylphenyl)furan-2-carbonyl]amino]-4-methylpentanoic acid (CID 119363534) is (2R)-2-[[5-(4-acetylphenyl)furan-2-carbonyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[[5-(4-acetylphenyl)furan-2-carbonyl]amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[[5-(4-acetylphenyl)furan-2-carbonyl]amino]-4-methylpentanoic acid is CC(=O)c1ccc(-c2ccc(C(=O)N[C@H](CC(C)C)C(=O)O)o2)cc1.
What is the InChIKey of (2R)-2-[[5-(4-acetylphenyl)furan-2-carbonyl]amino]-4-methylpentanoic acid?
The InChIKey is ZSFNXJOQUBLWFH-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H21NO5/c1-11(2)10-15(19(23)24)20-18(22)17-9-8-16(25-17)14-6-4-13(5-7-14)12(3)21/h4-9,11,15H,10H2,1-3H3,(H,20,22)(H,23,24)/t15-/m1/s1.
What are the key properties of (2R)-2-[[5-(4-acetylphenyl)furan-2-carbonyl]amino]-4-methylpentanoic acid?
(2R)-2-[[5-(4-acetylphenyl)furan-2-carbonyl]amino]-4-methylpentanoic acid has a molecular weight of 343.38 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[5-(4-acetylphenyl)furan-2-carbonyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 119363534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).