propan-2-yl (2S)-2-[[(2R,3S)-3-(hydroxycarbamoyl)-2-(2-methylpropyl)hex-5-enoyl]amino]-3,3-dimethylbutanoate

C20H36N2O5 — CID 57224545

IUPACpropan-2-yl (2S)-2-[[(2R,3S)-3-(hydroxycarbamoyl)-2-(2-methylpropyl)hex-5-enoyl]amino]-3,3-dimethylbutanoate
SMILESC=CC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)OC(C)C)C(C)(C)C
InChIInChI=1S/C20H36N2O5/c1-9-10-14(18(24)22-26)15(11-12(2)3)17(23)21-16(20(6,7)8)19(25)27-13(4)5/h9,12-16,26H,1,10-11H2,2-8H3,(H,21,23)(H,22,24)/t14-,15+,16+/m0/s1
InChIKeyQMPFNAZFYQTDGH-ARFHVFGLSA-N
MW384.52 g/mol
LogP2.83
Rot. Bonds10

About propan-2-yl (2S)-2-[[(2R,3S)-3-(hydroxycarbamoyl)-2-(2-methylpropyl)hex-5-enoyl]amino]-3,3-dimethylbutanoate

propan-2-yl (2S)-2-[[(2R,3S)-3-(hydroxycarbamoyl)-2-(2-methylpropyl)hex-5-enoyl]amino]-3,3-dimethylbutanoate (PubChem CID 57224545) has the molecular formula C20H36N2O5 and a molecular weight of 384.52 g/mol. Its IUPAC name is propan-2-yl (2S)-2-[[(2R,3S)-3-(hydroxycarbamoyl)-2-(2-methylpropyl)hex-5-enoyl]amino]-3,3-dimethylbutanoate.

Molecular Properties

Compound Namepropan-2-yl (2S)-2-[[(2R,3S)-3-(hydroxycarbamoyl)-2-(2-methylpropyl)hex-5-enoyl]amino]-3,3-dimethylbutanoate
PubChem CID57224545
Molecular FormulaC20H36N2O5
Molecular Weight384.52 g/mol
Exact Mass384.26
IUPAC Namepropan-2-yl (2S)-2-[[(2R,3S)-3-(hydroxycarbamoyl)-2-(2-methylpropyl)hex-5-enoyl]amino]-3,3-dimethylbutanoate
SMILESC=CC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)OC(C)C)C(C)(C)C
InChIInChI=1S/C20H36N2O5/c1-9-10-14(18(24)22-26)15(11-12(2)3)17(23)21-16(20(6,7)8)19(25)27-13(4)5/h9,12-16,26H,1,10-11H2,2-8H3,(H,21,23)(H,22,24)/t14-,15+,16+/m0/s1
InChIKeyQMPFNAZFYQTDGH-ARFHVFGLSA-N
XLogP2.83
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze propan-2-yl (2S)-2-[[(2R,3S)-3-(hydroxycarbamoyl)-2-(2-methylpropyl)hex-5-enoyl]amino]-3,3-dimethylbutanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2S)-2-[[(2R,3S)-3-(hydroxycarbamoyl)-2-(2-methylpropyl)hex-5-enoyl]amino]-3,3-dimethylbutanoate?
The IUPAC name of propan-2-yl (2S)-2-[[(2R,3S)-3-(hydroxycarbamoyl)-2-(2-methylpropyl)hex-5-enoyl]amino]-3,3-dimethylbutanoate (CID 57224545) is propan-2-yl (2S)-2-[[(2R,3S)-3-(hydroxycarbamoyl)-2-(2-methylpropyl)hex-5-enoyl]amino]-3,3-dimethylbutanoate.
What is the SMILES notation for propan-2-yl (2S)-2-[[(2R,3S)-3-(hydroxycarbamoyl)-2-(2-methylpropyl)hex-5-enoyl]amino]-3,3-dimethylbutanoate?
The canonical SMILES for propan-2-yl (2S)-2-[[(2R,3S)-3-(hydroxycarbamoyl)-2-(2-methylpropyl)hex-5-enoyl]amino]-3,3-dimethylbutanoate is C=CC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)OC(C)C)C(C)(C)C.
What is the InChIKey of propan-2-yl (2S)-2-[[(2R,3S)-3-(hydroxycarbamoyl)-2-(2-methylpropyl)hex-5-enoyl]amino]-3,3-dimethylbutanoate?
The InChIKey is QMPFNAZFYQTDGH-ARFHVFGLSA-N. The full InChI is InChI=1S/C20H36N2O5/c1-9-10-14(18(24)22-26)15(11-12(2)3)17(23)21-16(20(6,7)8)19(25)27-13(4)5/h9,12-16,26H,1,10-11H2,2-8H3,(H,21,23)(H,22,24)/t14-,15+,16+/m0/s1.
What are the key properties of propan-2-yl (2S)-2-[[(2R,3S)-3-(hydroxycarbamoyl)-2-(2-methylpropyl)hex-5-enoyl]amino]-3,3-dimethylbutanoate?
propan-2-yl (2S)-2-[[(2R,3S)-3-(hydroxycarbamoyl)-2-(2-methylpropyl)hex-5-enoyl]amino]-3,3-dimethylbutanoate has a molecular weight of 384.52 g/mol, XLogP of 2.83, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2S)-2-[[(2R,3S)-3-(hydroxycarbamoyl)-2-(2-methylpropyl)hex-5-enoyl]amino]-3,3-dimethylbutanoate is sourced from PubChem (CID 57224545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).