(2S,5S)-5-[[[2-(2,3-dichlorophenyl)acetyl]amino]methyl]oxolane-2-carboxamide

C14H16Cl2N2O3 — CID 129403186

IUPAC(2S,5S)-5-[[[2-(2,3-dichlorophenyl)acetyl]amino]methyl]oxolane-2-carboxamide
SMILESNC(=O)[C@@H]1CC[C@@H](CNC(=O)Cc2cccc(Cl)c2Cl)O1
InChIInChI=1S/C14H16Cl2N2O3/c15-10-3-1-2-8(13(10)16)6-12(19)18-7-9-4-5-11(21-9)14(17)20/h1-3,9,11H,4-7H2,(H2,17,20)(H,18,19)/t9-,11-/m0/s1
InChIKeyFMGQIEDNRVOACU-ONGXEEELSA-N
MW331.20 g/mol
LogP1.68
Rot. Bonds5

About (2S,5S)-5-[[[2-(2,3-dichlorophenyl)acetyl]amino]methyl]oxolane-2-carboxamide

(2S,5S)-5-[[[2-(2,3-dichlorophenyl)acetyl]amino]methyl]oxolane-2-carboxamide (PubChem CID 129403186) has the molecular formula C14H16Cl2N2O3 and a molecular weight of 331.20 g/mol. Its IUPAC name is (2S,5S)-5-[[[2-(2,3-dichlorophenyl)acetyl]amino]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5S)-5-[[[2-(2,3-dichlorophenyl)acetyl]amino]methyl]oxolane-2-carboxamide
PubChem CID129403186
Molecular FormulaC14H16Cl2N2O3
Molecular Weight331.20 g/mol
Exact Mass330.05
IUPAC Name(2S,5S)-5-[[[2-(2,3-dichlorophenyl)acetyl]amino]methyl]oxolane-2-carboxamide
SMILESNC(=O)[C@@H]1CC[C@@H](CNC(=O)Cc2cccc(Cl)c2Cl)O1
InChIInChI=1S/C14H16Cl2N2O3/c15-10-3-1-2-8(13(10)16)6-12(19)18-7-9-4-5-11(21-9)14(17)20/h1-3,9,11H,4-7H2,(H2,17,20)(H,18,19)/t9-,11-/m0/s1
InChIKeyFMGQIEDNRVOACU-ONGXEEELSA-N
XLogP1.68
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,5S)-5-[[[2-(2,3-dichlorophenyl)acetyl]amino]methyl]oxolane-2-carboxamide 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,5R)-5-[[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]methyl]oxolane-2-carboxamide
CID 97225759
(2S,5R)-5-(aminomethyl)-N-[2-(2,3-dichlorophenyl)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120788603
5-[[(2,5-dichlorophenyl)carbamoylamino]methyl]oxolane-2-carboxamide
CID 71919491
5-[[(2-aminobenzoyl)amino]methyl]oxolane-2-carboxamide
CID 119946036
5-[[2-(5-chlorothiophen-2-yl)propanoylamino]methyl]oxolane-2-carboxamide
CID 71851839
(2S,5S)-5-[[4-(2-methylphenoxy)butanoylamino]methyl]oxolane-2-carboxamide
CID 97007840
5-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]oxolane-2-carboxamide
CID 120669246
(2R,5S)-5-[[(3-bromo-4-methylthiophene-2-carbonyl)amino]methyl]oxolane-2-carboxamide
CID 99835306
(2R,5R)-5-[[(3-bromo-4-methylthiophene-2-carbonyl)amino]methyl]oxolane-2-carboxamide
CID 99835307
(2R,5S)-5-[[[4-(2-methylbutan-2-yl)benzoyl]amino]methyl]oxolane-2-carboxamide
CID 97241017
(2S,5R)-5-(aminomethyl)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 120785464
5-[[[(2S)-2-amino-4-methylpentanoyl]amino]methyl]oxolane-2-carboxamide
CID 119822338

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5-[[[2-(2,3-dichlorophenyl)acetyl]amino]methyl]oxolane-2-carboxamide?
The IUPAC name of (2S,5S)-5-[[[2-(2,3-dichlorophenyl)acetyl]amino]methyl]oxolane-2-carboxamide (CID 129403186) is (2S,5S)-5-[[[2-(2,3-dichlorophenyl)acetyl]amino]methyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,5S)-5-[[[2-(2,3-dichlorophenyl)acetyl]amino]methyl]oxolane-2-carboxamide?
The canonical SMILES for (2S,5S)-5-[[[2-(2,3-dichlorophenyl)acetyl]amino]methyl]oxolane-2-carboxamide is NC(=O)[C@@H]1CC[C@@H](CNC(=O)Cc2cccc(Cl)c2Cl)O1.
What is the InChIKey of (2S,5S)-5-[[[2-(2,3-dichlorophenyl)acetyl]amino]methyl]oxolane-2-carboxamide?
The InChIKey is FMGQIEDNRVOACU-ONGXEEELSA-N. The full InChI is InChI=1S/C14H16Cl2N2O3/c15-10-3-1-2-8(13(10)16)6-12(19)18-7-9-4-5-11(21-9)14(17)20/h1-3,9,11H,4-7H2,(H2,17,20)(H,18,19)/t9-,11-/m0/s1.
What are the key properties of (2S,5S)-5-[[[2-(2,3-dichlorophenyl)acetyl]amino]methyl]oxolane-2-carboxamide?
(2S,5S)-5-[[[2-(2,3-dichlorophenyl)acetyl]amino]methyl]oxolane-2-carboxamide has a molecular weight of 331.20 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-5-[[[2-(2,3-dichlorophenyl)acetyl]amino]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 129403186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).