(2S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-phenylpropanoate

C21H17N2O5- — CID 7482305

IUPAC(2S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-phenylpropanoate
SMILESO=C(Nc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])c1ccco1
InChIInChI=1S/C21H18N2O5/c24-19(23-17(21(26)27)13-14-7-2-1-3-8-14)15-9-4-5-10-16(15)22-20(25)18-11-6-12-28-18/h1-12,17H,13H2,(H,22,25)(H,23,24)(H,26,27)/p-1/t17-/m0/s1
InChIKeyUCRLHEGXDVZBKA-KRWDZBQOSA-M
MW377.38 g/mol
LogP1.62
Rot. Bonds7

About (2S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-phenylpropanoate

(2S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-phenylpropanoate (PubChem CID 7482305) has the molecular formula C21H17N2O5- and a molecular weight of 377.38 g/mol. Its IUPAC name is (2S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-phenylpropanoate.

Molecular Properties

Compound Name(2S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-phenylpropanoate
PubChem CID7482305
Molecular FormulaC21H17N2O5-
Molecular Weight377.38 g/mol
Exact Mass377.11
IUPAC Name(2S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-phenylpropanoate
SMILESO=C(Nc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])c1ccco1
InChIInChI=1S/C21H18N2O5/c24-19(23-17(21(26)27)13-14-7-2-1-3-8-14)15-9-4-5-10-16(15)22-20(25)18-11-6-12-28-18/h1-12,17H,13H2,(H,22,25)(H,23,24)(H,26,27)/p-1/t17-/m0/s1
InChIKeyUCRLHEGXDVZBKA-KRWDZBQOSA-M
XLogP1.62
TPSA111.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-phenylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]butanedioate
CID 7760340
(2R)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]butanoate
CID 7430265
2-[[2-(furan-2-carbonylamino)benzoyl]amino]propanoate
CID 3487490
2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-(1H-indol-3-yl)propanoate
CID 5187549
(2S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-(1H-indol-3-yl)propanoate
CID 6982398
2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylbutanoate
CID 4158153
(2S,3S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylpentanoate
CID 7035399
2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-(1H-indol-2-yl)propanoic acid
CID 4527842
(2R)-2-[(2-benzamidobenzoyl)amino]-3-phenylpropanoic acid
CID 1366278
(2R,3S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylpentanoic acid
CID 829507
N-[2-[(propanoylamino)carbamoyl]phenyl]furan-2-carboxamide
CID 126003002
3-phenyl-2-[[2-[[2-[(2-phenylacetyl)amino]benzoyl]amino]benzoyl]amino]propanoic acid
CID 11827463

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-phenylpropanoate?
The IUPAC name of (2S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-phenylpropanoate (CID 7482305) is (2S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-phenylpropanoate.
What is the SMILES notation for (2S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-phenylpropanoate?
The canonical SMILES for (2S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-phenylpropanoate is O=C(Nc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])c1ccco1.
What is the InChIKey of (2S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-phenylpropanoate?
The InChIKey is UCRLHEGXDVZBKA-KRWDZBQOSA-M. The full InChI is InChI=1S/C21H18N2O5/c24-19(23-17(21(26)27)13-14-7-2-1-3-8-14)15-9-4-5-10-16(15)22-20(25)18-11-6-12-28-18/h1-12,17H,13H2,(H,22,25)(H,23,24)(H,26,27)/p-1/t17-/m0/s1.
What are the key properties of (2S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-phenylpropanoate?
(2S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-phenylpropanoate has a molecular weight of 377.38 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-phenylpropanoate is sourced from PubChem (CID 7482305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).