methyl (2S,3S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylpentanoate

C19H22N2O5 — CID 7033926

IUPACmethyl (2S,3S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylpentanoate
SMILESCC[C@H](C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)OC
InChIInChI=1S/C19H22N2O5/c1-4-12(2)16(19(24)25-3)21-17(22)13-8-5-6-9-14(13)20-18(23)15-10-7-11-26-15/h5-12,16H,4H2,1-3H3,(H,20,23)(H,21,22)/t12-,16-/m0/s1
InChIKeyFFCREVYRHWHYCJ-LRDDRELGSA-N
MW358.39 g/mol
LogP2.85
Rot. Bonds7

About methyl (2S,3S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylpentanoate

methyl (2S,3S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylpentanoate (PubChem CID 7033926) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is methyl (2S,3S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylpentanoate.

Molecular Properties

Compound Namemethyl (2S,3S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylpentanoate
PubChem CID7033926
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Namemethyl (2S,3S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylpentanoate
SMILESCC[C@H](C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)OC
InChIInChI=1S/C19H22N2O5/c1-4-12(2)16(19(24)25-3)21-17(22)13-8-5-6-9-14(13)20-18(23)15-10-7-11-26-15/h5-12,16H,4H2,1-3H3,(H,20,23)(H,21,22)/t12-,16-/m0/s1
InChIKeyFFCREVYRHWHYCJ-LRDDRELGSA-N
XLogP2.85
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl (2S,3S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylpentanoate 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

(2R,3S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylpentanoic acid
CID 829507
(2S,3S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylpentanoate
CID 7035399
2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylbutanoate
CID 4158153
methyl 2-[[2-(ethylamino)benzoyl]amino]-3-methylpentanoate
CID 63107982
(2R)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]butanoate
CID 7430265
2-[[2-(furan-2-carbonylamino)benzoyl]amino]propanoate
CID 3487490
N-[2-[(propanoylamino)carbamoyl]phenyl]furan-2-carboxamide
CID 126003002
N-[2-[[(2R)-1-[2-(4-methoxybenzoyl)hydrazinyl]-1-oxobutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide
CID 40836631
methyl 2-[(2-fluorobenzoyl)amino]-3-methylpentanoate
CID 60645470
N-[2-[[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide
CID 7612713
methyl 2-[[(2R,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]carbamoylamino]benzoate
CID 40597076
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
CID 2652525

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylpentanoate?
The IUPAC name of methyl (2S,3S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylpentanoate (CID 7033926) is methyl (2S,3S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylpentanoate.
What is the SMILES notation for methyl (2S,3S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylpentanoate?
The canonical SMILES for methyl (2S,3S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylpentanoate is CC[C@H](C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)OC.
What is the InChIKey of methyl (2S,3S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylpentanoate?
The InChIKey is FFCREVYRHWHYCJ-LRDDRELGSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-4-12(2)16(19(24)25-3)21-17(22)13-8-5-6-9-14(13)20-18(23)15-10-7-11-26-15/h5-12,16H,4H2,1-3H3,(H,20,23)(H,21,22)/t12-,16-/m0/s1.
What are the key properties of methyl (2S,3S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylpentanoate?
methyl (2S,3S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylpentanoate has a molecular weight of 358.39 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylpentanoate is sourced from PubChem (CID 7033926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).