(2R)-2-[[3-(furan-2-carbonylamino)benzoyl]amino]-4-methylpentanoic acid

C18H20N2O5 — CID 119363496

IUPAC(2R)-2-[[3-(furan-2-carbonylamino)benzoyl]amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)c1cccc(NC(=O)c2ccco2)c1)C(=O)O
InChIInChI=1S/C18H20N2O5/c1-11(2)9-14(18(23)24)20-16(21)12-5-3-6-13(10-12)19-17(22)15-7-4-8-25-15/h3-8,10-11,14H,9H2,1-2H3,(H,19,22)(H,20,21)(H,23,24)/t14-/m1/s1
InChIKeyMZTHQSUKEKYMRR-CQSZACIVSA-N
MW344.37 g/mol
LogP2.76
Rot. Bonds7

About (2R)-2-[[3-(furan-2-carbonylamino)benzoyl]amino]-4-methylpentanoic acid

(2R)-2-[[3-(furan-2-carbonylamino)benzoyl]amino]-4-methylpentanoic acid (PubChem CID 119363496) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is (2R)-2-[[3-(furan-2-carbonylamino)benzoyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[3-(furan-2-carbonylamino)benzoyl]amino]-4-methylpentanoic acid
PubChem CID119363496
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name(2R)-2-[[3-(furan-2-carbonylamino)benzoyl]amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)c1cccc(NC(=O)c2ccco2)c1)C(=O)O
InChIInChI=1S/C18H20N2O5/c1-11(2)9-14(18(23)24)20-16(21)12-5-3-6-13(10-12)19-17(22)15-7-4-8-25-15/h3-8,10-11,14H,9H2,1-2H3,(H,19,22)(H,20,21)(H,23,24)/t14-/m1/s1
InChIKeyMZTHQSUKEKYMRR-CQSZACIVSA-N
XLogP2.76
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-chloro-4-(furan-2-carbonylamino)benzoyl]amino]-4-methylpentanoic acid
CID 23851190
(2R)-4-methyl-2-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]pentanoic acid
CID 119364531
N-[3-(2-hydroxypropylcarbamoyl)phenyl]furan-2-carboxamide
CID 78897732
N-[3-[(3-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 27244358
(2R)-2-[(3-carbamoylbenzoyl)amino]-4-methylpentanoic acid
CID 78975452
(2R)-2-[[2-(furan-2-carbonylamino)thiophene-3-carbonyl]amino]-4-methylpentanoic acid
CID 119363906
N-[3-[1-(2-chlorophenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 55822141
N-[3-[(4-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 51179863
2-[3-(furan-2-carbonylamino)propanoylamino]-4-methylpentanoic acid
CID 43092601
4-methyl-2-[[4-(phenylcarbamoyl)benzoyl]amino]pentanoic acid
CID 120516103
N-[3-[(2-benzamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 55934006
2-[(4-benzamidobenzoyl)amino]-4-methylpentanoic acid
CID 119188161

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[3-(furan-2-carbonylamino)benzoyl]amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[[3-(furan-2-carbonylamino)benzoyl]amino]-4-methylpentanoic acid (CID 119363496) is (2R)-2-[[3-(furan-2-carbonylamino)benzoyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[[3-(furan-2-carbonylamino)benzoyl]amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[[3-(furan-2-carbonylamino)benzoyl]amino]-4-methylpentanoic acid is CC(C)C[C@@H](NC(=O)c1cccc(NC(=O)c2ccco2)c1)C(=O)O.
What is the InChIKey of (2R)-2-[[3-(furan-2-carbonylamino)benzoyl]amino]-4-methylpentanoic acid?
The InChIKey is MZTHQSUKEKYMRR-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-11(2)9-14(18(23)24)20-16(21)12-5-3-6-13(10-12)19-17(22)15-7-4-8-25-15/h3-8,10-11,14H,9H2,1-2H3,(H,19,22)(H,20,21)(H,23,24)/t14-/m1/s1.
What are the key properties of (2R)-2-[[3-(furan-2-carbonylamino)benzoyl]amino]-4-methylpentanoic acid?
(2R)-2-[[3-(furan-2-carbonylamino)benzoyl]amino]-4-methylpentanoic acid has a molecular weight of 344.37 g/mol, XLogP of 2.76, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[3-(furan-2-carbonylamino)benzoyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 119363496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).