methyl (2S)-2-[(2-chloro-6-propan-2-ylpyridine-4-carbonyl)amino]propanoate

C13H17ClN2O3 — CID 113379820

IUPACmethyl (2S)-2-[(2-chloro-6-propan-2-ylpyridine-4-carbonyl)amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)c1cc(Cl)nc(C(C)C)c1
InChIInChI=1S/C13H17ClN2O3/c1-7(2)10-5-9(6-11(14)16-10)12(17)15-8(3)13(18)19-4/h5-8H,1-4H3,(H,15,17)/t8-/m0/s1
InChIKeyWFOHKEJWNKPWPV-QMMMGPOBSA-N
MW284.74 g/mol
LogP2.15
Rot. Bonds4

About methyl (2S)-2-[(2-chloro-6-propan-2-ylpyridine-4-carbonyl)amino]propanoate

methyl (2S)-2-[(2-chloro-6-propan-2-ylpyridine-4-carbonyl)amino]propanoate (PubChem CID 113379820) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is methyl (2S)-2-[(2-chloro-6-propan-2-ylpyridine-4-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(2-chloro-6-propan-2-ylpyridine-4-carbonyl)amino]propanoate
PubChem CID113379820
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Namemethyl (2S)-2-[(2-chloro-6-propan-2-ylpyridine-4-carbonyl)amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)c1cc(Cl)nc(C(C)C)c1
InChIInChI=1S/C13H17ClN2O3/c1-7(2)10-5-9(6-11(14)16-10)12(17)15-8(3)13(18)19-4/h5-8H,1-4H3,(H,15,17)/t8-/m0/s1
InChIKeyWFOHKEJWNKPWPV-QMMMGPOBSA-N
XLogP2.15
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(4-methylpent-1-yn-3-yl)-6-propan-2-ylpyridine-4-carboxamide
CID 114202175
2-chloro-N-(2-methylpentan-3-yl)-6-propan-2-ylpyridine-4-carboxamide
CID 113379873
2-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-6-propan-2-ylpyridine-4-carboxamide
CID 106153622
(2S)-2-[(2-chloro-6-propan-2-ylpyridine-4-carbonyl)amino]butanoic acid
CID 114037087
N-(1-amino-1-oxopropan-2-yl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
CID 62243041
methyl 3-[(2-chloro-6-propan-2-ylpyridine-4-carbonyl)amino]propanoate
CID 113379816
2-chloro-N-pent-1-yn-3-yl-6-propan-2-ylpyridine-4-carboxamide
CID 106228697
2-chloro-N-(3-methylbutyl)-6-propan-2-ylpyridine-4-carboxamide
CID 113379713
methyl 2-[(3-chloro-4-hydroxybenzoyl)amino]propanoate
CID 60654193
2-chloro-N-(2-hydroxyphenyl)-6-propan-2-ylpyridine-4-carboxamide
CID 107856629
methyl (2S)-2-[(3,5-difluorobenzoyl)amino]propanoate
CID 47337377
2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]-6-propan-2-ylpyridine-4-carboxamide
CID 106033397

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(2-chloro-6-propan-2-ylpyridine-4-carbonyl)amino]propanoate?
The IUPAC name of methyl (2S)-2-[(2-chloro-6-propan-2-ylpyridine-4-carbonyl)amino]propanoate (CID 113379820) is methyl (2S)-2-[(2-chloro-6-propan-2-ylpyridine-4-carbonyl)amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[(2-chloro-6-propan-2-ylpyridine-4-carbonyl)amino]propanoate?
The canonical SMILES for methyl (2S)-2-[(2-chloro-6-propan-2-ylpyridine-4-carbonyl)amino]propanoate is COC(=O)[C@H](C)NC(=O)c1cc(Cl)nc(C(C)C)c1.
What is the InChIKey of methyl (2S)-2-[(2-chloro-6-propan-2-ylpyridine-4-carbonyl)amino]propanoate?
The InChIKey is WFOHKEJWNKPWPV-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-7(2)10-5-9(6-11(14)16-10)12(17)15-8(3)13(18)19-4/h5-8H,1-4H3,(H,15,17)/t8-/m0/s1.
What are the key properties of methyl (2S)-2-[(2-chloro-6-propan-2-ylpyridine-4-carbonyl)amino]propanoate?
methyl (2S)-2-[(2-chloro-6-propan-2-ylpyridine-4-carbonyl)amino]propanoate has a molecular weight of 284.74 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(2-chloro-6-propan-2-ylpyridine-4-carbonyl)amino]propanoate is sourced from PubChem (CID 113379820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).