tert-butyl (2S)-2-[(4-chloro-6-methylpyridine-3-carbonyl)amino]propanoate

C14H19ClN2O3 — CID 103873980

IUPACtert-butyl (2S)-2-[(4-chloro-6-methylpyridine-3-carbonyl)amino]propanoate
SMILESCc1cc(Cl)c(C(=O)N[C@@H](C)C(=O)OC(C)(C)C)cn1
InChIInChI=1S/C14H19ClN2O3/c1-8-6-11(15)10(7-16-8)12(18)17-9(2)13(19)20-14(3,4)5/h6-7,9H,1-5H3,(H,17,18)/t9-/m0/s1
InChIKeyUYUBXGMGFQNDHA-VIFPVBQESA-N
MW298.77 g/mol
LogP2.50
Rot. Bonds3

About tert-butyl (2S)-2-[(4-chloro-6-methylpyridine-3-carbonyl)amino]propanoate

tert-butyl (2S)-2-[(4-chloro-6-methylpyridine-3-carbonyl)amino]propanoate (PubChem CID 103873980) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is tert-butyl (2S)-2-[(4-chloro-6-methylpyridine-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[(4-chloro-6-methylpyridine-3-carbonyl)amino]propanoate
PubChem CID103873980
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Nametert-butyl (2S)-2-[(4-chloro-6-methylpyridine-3-carbonyl)amino]propanoate
SMILESCc1cc(Cl)c(C(=O)N[C@@H](C)C(=O)OC(C)(C)C)cn1
InChIInChI=1S/C14H19ClN2O3/c1-8-6-11(15)10(7-16-8)12(18)17-9(2)13(19)20-14(3,4)5/h6-7,9H,1-5H3,(H,17,18)/t9-/m0/s1
InChIKeyUYUBXGMGFQNDHA-VIFPVBQESA-N
XLogP2.50
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2R)-2-[(2-chloro-4,5-difluorobenzoyl)amino]propanoate
CID 80998906
tert-butyl (2S)-2-[(3,6-dimethylpyridazine-4-carbonyl)amino]propanoate
CID 103881073
4-chloro-6-methyl-N-(3-methylpentan-2-yl)pyridine-3-carboxamide
CID 81226447
N-tert-butyl-4-chloro-6-methylpyridine-3-carboxamide
CID 81226013
4-chloro-N-(4-hydroxybutan-2-yl)-6-methylpyridine-3-carboxamide
CID 115283582
tert-butyl (2R)-2-[(2-chloro-5-methylsulfanylbenzoyl)amino]propanoate
CID 80999862
4-chloro-6-methyl-N-(4,4,4-trifluorobutan-2-yl)pyridine-3-carboxamide
CID 113461638
tert-butyl (2R)-2-[(2,3-dichlorobenzoyl)amino]propanoate
CID 81003606
4-chloro-N-[1-(dimethylamino)propan-2-yl]-6-methylpyridine-3-carboxamide
CID 82944808
4-chloro-N-(dicyclopropylmethyl)-6-methylpyridine-3-carboxamide
CID 81226364
tert-butyl (2S)-2-[(2-chloropyridine-4-carbonyl)amino]propanoate
CID 103822368
4-chloro-6-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-3-carboxamide
CID 103949111

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[(4-chloro-6-methylpyridine-3-carbonyl)amino]propanoate?
The IUPAC name of tert-butyl (2S)-2-[(4-chloro-6-methylpyridine-3-carbonyl)amino]propanoate (CID 103873980) is tert-butyl (2S)-2-[(4-chloro-6-methylpyridine-3-carbonyl)amino]propanoate.
What is the SMILES notation for tert-butyl (2S)-2-[(4-chloro-6-methylpyridine-3-carbonyl)amino]propanoate?
The canonical SMILES for tert-butyl (2S)-2-[(4-chloro-6-methylpyridine-3-carbonyl)amino]propanoate is Cc1cc(Cl)c(C(=O)N[C@@H](C)C(=O)OC(C)(C)C)cn1.
What is the InChIKey of tert-butyl (2S)-2-[(4-chloro-6-methylpyridine-3-carbonyl)amino]propanoate?
The InChIKey is UYUBXGMGFQNDHA-VIFPVBQESA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-8-6-11(15)10(7-16-8)12(18)17-9(2)13(19)20-14(3,4)5/h6-7,9H,1-5H3,(H,17,18)/t9-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[(4-chloro-6-methylpyridine-3-carbonyl)amino]propanoate?
tert-butyl (2S)-2-[(4-chloro-6-methylpyridine-3-carbonyl)amino]propanoate has a molecular weight of 298.77 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[(4-chloro-6-methylpyridine-3-carbonyl)amino]propanoate is sourced from PubChem (CID 103873980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).