methyl 2-[(5-aminopyridine-2-carbonyl)-propan-2-ylamino]acetate

C12H17N3O3 — CID 81315778

IUPACmethyl 2-[(5-aminopyridine-2-carbonyl)-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)c1ccc(N)cn1)C(C)C
InChIInChI=1S/C12H17N3O3/c1-8(2)15(7-11(16)18-3)12(17)10-5-4-9(13)6-14-10/h4-6,8H,7,13H2,1-3H3
InChIKeyLRDUXSQNVVJOLG-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.69
Rot. Bonds4

About methyl 2-[(5-aminopyridine-2-carbonyl)-propan-2-ylamino]acetate

methyl 2-[(5-aminopyridine-2-carbonyl)-propan-2-ylamino]acetate (PubChem CID 81315778) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is methyl 2-[(5-aminopyridine-2-carbonyl)-propan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-aminopyridine-2-carbonyl)-propan-2-ylamino]acetate
PubChem CID81315778
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Namemethyl 2-[(5-aminopyridine-2-carbonyl)-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)c1ccc(N)cn1)C(C)C
InChIInChI=1S/C12H17N3O3/c1-8(2)15(7-11(16)18-3)12(17)10-5-4-9(13)6-14-10/h4-6,8H,7,13H2,1-3H3
InChIKeyLRDUXSQNVVJOLG-UHFFFAOYSA-N
XLogP0.69
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(5-bromopyridine-2-carbonyl)-propan-2-ylamino]acetate
CID 62958002
5-amino-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 81316551
methyl 2-[(5-amino-1H-indazole-3-carbonyl)-propan-2-ylamino]acetate
CID 61110565
5-amino-N-butan-2-yl-N-methylpyridine-2-carboxamide
CID 81317064
methyl 2-[propan-2-yl(pyridazine-4-carbonyl)amino]acetate
CID 112706645
methyl 2-[(4-amino-3-methoxybenzoyl)-propan-2-ylamino]acetate
CID 104782581
5-amino-N-[2-[di(propan-2-yl)amino]ethyl]pyridine-2-carboxamide
CID 81319681
ethyl 2-[propan-2-yl(pyrazine-2-carbonyl)amino]acetate
CID 54901193
2-[(5-fluoropyridine-2-carbonyl)-propan-2-ylamino]acetic acid
CID 104638164
methyl 2-[(5-amino-2,3-dichlorobenzoyl)-propan-2-ylamino]acetate
CID 107184293
methyl 2-[(4-amino-5-methylthiophene-2-carbonyl)-propan-2-ylamino]acetate
CID 61108861
methyl 2-[(4-chlorobenzoyl)-propan-2-ylamino]acetate
CID 54941937

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-aminopyridine-2-carbonyl)-propan-2-ylamino]acetate?
The IUPAC name of methyl 2-[(5-aminopyridine-2-carbonyl)-propan-2-ylamino]acetate (CID 81315778) is methyl 2-[(5-aminopyridine-2-carbonyl)-propan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[(5-aminopyridine-2-carbonyl)-propan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[(5-aminopyridine-2-carbonyl)-propan-2-ylamino]acetate is COC(=O)CN(C(=O)c1ccc(N)cn1)C(C)C.
What is the InChIKey of methyl 2-[(5-aminopyridine-2-carbonyl)-propan-2-ylamino]acetate?
The InChIKey is LRDUXSQNVVJOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-8(2)15(7-11(16)18-3)12(17)10-5-4-9(13)6-14-10/h4-6,8H,7,13H2,1-3H3.
What are the key properties of methyl 2-[(5-aminopyridine-2-carbonyl)-propan-2-ylamino]acetate?
methyl 2-[(5-aminopyridine-2-carbonyl)-propan-2-ylamino]acetate has a molecular weight of 251.29 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-aminopyridine-2-carbonyl)-propan-2-ylamino]acetate is sourced from PubChem (CID 81315778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).