methyl 2-[(6-chloro-2-pyridinyl)methyl-propan-2-ylamino]acetate

C12H17ClN2O2 — CID 79047597

IUPACmethyl 2-[(6-chloro-2-pyridinyl)methyl-propan-2-ylamino]acetate
SMILESCOC(=O)CN(Cc1cccc(Cl)n1)C(C)C
InChIInChI=1S/C12H17ClN2O2/c1-9(2)15(8-12(16)17-3)7-10-5-4-6-11(13)14-10/h4-6,9H,7-8H2,1-3H3
InChIKeyXULWVYLZILGPLO-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.12
Rot. Bonds5

About methyl 2-[(6-chloro-2-pyridinyl)methyl-propan-2-ylamino]acetate

methyl 2-[(6-chloro-2-pyridinyl)methyl-propan-2-ylamino]acetate (PubChem CID 79047597) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is methyl 2-[(6-chloro-2-pyridinyl)methyl-propan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(6-chloro-2-pyridinyl)methyl-propan-2-ylamino]acetate
PubChem CID79047597
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Namemethyl 2-[(6-chloro-2-pyridinyl)methyl-propan-2-ylamino]acetate
SMILESCOC(=O)CN(Cc1cccc(Cl)n1)C(C)C
InChIInChI=1S/C12H17ClN2O2/c1-9(2)15(8-12(16)17-3)7-10-5-4-6-11(13)14-10/h4-6,9H,7-8H2,1-3H3
InChIKeyXULWVYLZILGPLO-UHFFFAOYSA-N
XLogP2.12
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[(6-methoxy-2-pyridinyl)methyl-propan-2-ylamino]acetate
CID 63985132
methyl 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-propan-2-ylamino]acetate
CID 80658262
methyl 2-[(1-phenylpyrazol-3-yl)methyl-propan-2-ylamino]acetate
CID 62303933
2-[(6-methyl-2-pyridinyl)methyl-propan-2-ylamino]acetic acid
CID 79261215
methyl 2-[furan-3-ylmethyl(propan-2-yl)amino]acetate
CID 83029917
methyl 2-[(6-methoxy-2-pyridinyl)methyl-methylamino]acetate
CID 63984543
methyl 2-[[4-(aminomethyl)-2-chlorophenyl]methyl-propan-2-ylamino]acetate
CID 102662967
methyl 2-[(2,6-dichlorobenzoyl)-propan-2-ylamino]acetate
CID 55005992
N-[(6-chloro-2-pyridinyl)methyl]-N-(2-methylpropyl)pentan-3-amine
CID 79484120
methyl 2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propan-2-yl)amino]acetate
CID 78918735
2-[[6-(hydrazinecarbonyl)-2-pyridinyl]methyl-propan-2-ylamino]acetamide
CID 106909180
methyl 2-[(2-fluoro-3-methoxyphenyl)methyl-propan-2-ylamino]acetate
CID 113453832

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-chloro-2-pyridinyl)methyl-propan-2-ylamino]acetate?
The IUPAC name of methyl 2-[(6-chloro-2-pyridinyl)methyl-propan-2-ylamino]acetate (CID 79047597) is methyl 2-[(6-chloro-2-pyridinyl)methyl-propan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[(6-chloro-2-pyridinyl)methyl-propan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[(6-chloro-2-pyridinyl)methyl-propan-2-ylamino]acetate is COC(=O)CN(Cc1cccc(Cl)n1)C(C)C.
What is the InChIKey of methyl 2-[(6-chloro-2-pyridinyl)methyl-propan-2-ylamino]acetate?
The InChIKey is XULWVYLZILGPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-9(2)15(8-12(16)17-3)7-10-5-4-6-11(13)14-10/h4-6,9H,7-8H2,1-3H3.
What are the key properties of methyl 2-[(6-chloro-2-pyridinyl)methyl-propan-2-ylamino]acetate?
methyl 2-[(6-chloro-2-pyridinyl)methyl-propan-2-ylamino]acetate has a molecular weight of 256.73 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-chloro-2-pyridinyl)methyl-propan-2-ylamino]acetate is sourced from PubChem (CID 79047597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).