methyl (2R)-3-[(2-chloropyridine-4-carbonyl)-(3-ethoxypropyl)amino]-2-methylpropanoate

C16H23ClN2O4 — CID 95627920

IUPACmethyl (2R)-3-[(2-chloropyridine-4-carbonyl)-(3-ethoxypropyl)amino]-2-methylpropanoate
SMILESCCOCCCN(C[C@@H](C)C(=O)OC)C(=O)c1ccnc(Cl)c1
InChIInChI=1S/C16H23ClN2O4/c1-4-23-9-5-8-19(11-12(2)16(21)22-3)15(20)13-6-7-18-14(17)10-13/h6-7,10,12H,4-5,8-9,11H2,1-3H3/t12-/m1/s1
InChIKeyBZGSBRLQSIJASW-GFCCVEGCSA-N
MW342.82 g/mol
LogP2.41
Rot. Bonds9

About methyl (2R)-3-[(2-chloropyridine-4-carbonyl)-(3-ethoxypropyl)amino]-2-methylpropanoate

methyl (2R)-3-[(2-chloropyridine-4-carbonyl)-(3-ethoxypropyl)amino]-2-methylpropanoate (PubChem CID 95627920) has the molecular formula C16H23ClN2O4 and a molecular weight of 342.82 g/mol. Its IUPAC name is methyl (2R)-3-[(2-chloropyridine-4-carbonyl)-(3-ethoxypropyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-3-[(2-chloropyridine-4-carbonyl)-(3-ethoxypropyl)amino]-2-methylpropanoate
PubChem CID95627920
Molecular FormulaC16H23ClN2O4
Molecular Weight342.82 g/mol
Exact Mass342.13
IUPAC Namemethyl (2R)-3-[(2-chloropyridine-4-carbonyl)-(3-ethoxypropyl)amino]-2-methylpropanoate
SMILESCCOCCCN(C[C@@H](C)C(=O)OC)C(=O)c1ccnc(Cl)c1
InChIInChI=1S/C16H23ClN2O4/c1-4-23-9-5-8-19(11-12(2)16(21)22-3)15(20)13-6-7-18-14(17)10-13/h6-7,10,12H,4-5,8-9,11H2,1-3H3/t12-/m1/s1
InChIKeyBZGSBRLQSIJASW-GFCCVEGCSA-N
XLogP2.41
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.82
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl (2R)-3-[(2-chloropyridine-4-carbonyl)-(3-ethoxypropyl)amino]-2-methylpropanoate 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

2-chloro-N,N-dipentylpyridine-4-carboxamide
CID 60776125
3-[3-ethoxypropyl-(4-fluoro-3-methoxybenzoyl)amino]-2-methylpropanoic acid
CID 120520259
2-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-4-carboxamide
CID 61053425
2-chloro-N-[(2S)-1-methoxypropan-2-yl]-N-methylpyridine-4-carboxamide
CID 51891752
3-[3-ethoxypropyl(1H-indole-6-carbonyl)amino]-2-methylpropanoic acid
CID 119208488
3-[(5-chloropyridine-2-carbonyl)-(3-ethoxypropyl)amino]-2-methylpropanoic acid
CID 120520331
2-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridine-4-carboxamide
CID 82948759
3-[(2-chlorobenzoyl)-(3-ethoxypropyl)amino]-2-methylpropanoic acid
CID 119208279
methyl (2R)-3-[3-ethoxypropyl(pent-4-enoyl)amino]-2-methylpropanoate
CID 97029597
3-[3-ethoxypropyl-(3-pyrrol-1-ylbenzoyl)amino]-2-methylpropanoic acid
CID 119208614
methyl 2-[(2-chloropyridine-4-carbonyl)amino]-3-methylpentanoate
CID 60716809
3-[3-ethoxypropyl-(3-methylthiophene-2-carbonyl)amino]-2-methylpropanoic acid
CID 119208280

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-[(2-chloropyridine-4-carbonyl)-(3-ethoxypropyl)amino]-2-methylpropanoate?
The IUPAC name of methyl (2R)-3-[(2-chloropyridine-4-carbonyl)-(3-ethoxypropyl)amino]-2-methylpropanoate (CID 95627920) is methyl (2R)-3-[(2-chloropyridine-4-carbonyl)-(3-ethoxypropyl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl (2R)-3-[(2-chloropyridine-4-carbonyl)-(3-ethoxypropyl)amino]-2-methylpropanoate?
The canonical SMILES for methyl (2R)-3-[(2-chloropyridine-4-carbonyl)-(3-ethoxypropyl)amino]-2-methylpropanoate is CCOCCCN(C[C@@H](C)C(=O)OC)C(=O)c1ccnc(Cl)c1.
What is the InChIKey of methyl (2R)-3-[(2-chloropyridine-4-carbonyl)-(3-ethoxypropyl)amino]-2-methylpropanoate?
The InChIKey is BZGSBRLQSIJASW-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23ClN2O4/c1-4-23-9-5-8-19(11-12(2)16(21)22-3)15(20)13-6-7-18-14(17)10-13/h6-7,10,12H,4-5,8-9,11H2,1-3H3/t12-/m1/s1.
What are the key properties of methyl (2R)-3-[(2-chloropyridine-4-carbonyl)-(3-ethoxypropyl)amino]-2-methylpropanoate?
methyl (2R)-3-[(2-chloropyridine-4-carbonyl)-(3-ethoxypropyl)amino]-2-methylpropanoate has a molecular weight of 342.82 g/mol, XLogP of 2.41, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-[(2-chloropyridine-4-carbonyl)-(3-ethoxypropyl)amino]-2-methylpropanoate is sourced from PubChem (CID 95627920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).