methyl 2-acetamido-3-[(1,2-dimethylpiperidin-4-yl)amino]propanoate

C13H25N3O3 — CID 103260594

IUPACmethyl 2-acetamido-3-[(1,2-dimethylpiperidin-4-yl)amino]propanoate
SMILESCOC(=O)C(CNC1CCN(C)C(C)C1)NC(C)=O
InChIInChI=1S/C13H25N3O3/c1-9-7-11(5-6-16(9)3)14-8-12(13(18)19-4)15-10(2)17/h9,11-12,14H,5-8H2,1-4H3,(H,15,17)
InChIKeyVUNPPFCUMFNWQX-UHFFFAOYSA-N
MW271.36 g/mol
LogP-0.26
Rot. Bonds5

About methyl 2-acetamido-3-[(1,2-dimethylpiperidin-4-yl)amino]propanoate

methyl 2-acetamido-3-[(1,2-dimethylpiperidin-4-yl)amino]propanoate (PubChem CID 103260594) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is methyl 2-acetamido-3-[(1,2-dimethylpiperidin-4-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-acetamido-3-[(1,2-dimethylpiperidin-4-yl)amino]propanoate
PubChem CID103260594
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Namemethyl 2-acetamido-3-[(1,2-dimethylpiperidin-4-yl)amino]propanoate
SMILESCOC(=O)C(CNC1CCN(C)C(C)C1)NC(C)=O
InChIInChI=1S/C13H25N3O3/c1-9-7-11(5-6-16(9)3)14-8-12(13(18)19-4)15-10(2)17/h9,11-12,14H,5-8H2,1-4H3,(H,15,17)
InChIKeyVUNPPFCUMFNWQX-UHFFFAOYSA-N
XLogP-0.26
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-acetamido-3-[(4,4-dimethylcyclohexyl)amino]propanoate
CID 103253399
(2R)-1-[(1,2-dimethylpiperidin-4-yl)amino]propan-2-ol
CID 103906841
(2S)-1-[(1,2-dimethylpiperidin-4-yl)amino]propan-2-ol
CID 103906506
methyl 2-acetamido-3-[(4-propylcyclohexyl)amino]propanoate
CID 103245661
methyl 2-acetamido-3-[(2-methylcyclohexyl)amino]propanoate
CID 103235516
methyl 2-acetamido-3-[(2-methylcycloheptyl)amino]propanoate
CID 103254963
4-[(1,2-dimethylpiperidin-4-yl)amino]-3-methylbut-2-enoic acid
CID 103260579
1-(cyclopropylmethoxy)-3-[(1,2-dimethylpiperidin-4-yl)amino]propan-2-ol
CID 81334318
3-[(1,2-dimethylpiperidin-4-yl)amino]-N-(2-methoxyethyl)propanamide
CID 112700219
1,2-dimethyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)piperidin-4-amine
CID 81296513
2-[(1,2-dimethylpiperidin-4-yl)amino]-N-propylacetamide
CID 81301265
(2R)-2-amino-N-(1,2-dimethylpiperidin-4-yl)pentanamide
CID 103814653

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-3-[(1,2-dimethylpiperidin-4-yl)amino]propanoate?
The IUPAC name of methyl 2-acetamido-3-[(1,2-dimethylpiperidin-4-yl)amino]propanoate (CID 103260594) is methyl 2-acetamido-3-[(1,2-dimethylpiperidin-4-yl)amino]propanoate.
What is the SMILES notation for methyl 2-acetamido-3-[(1,2-dimethylpiperidin-4-yl)amino]propanoate?
The canonical SMILES for methyl 2-acetamido-3-[(1,2-dimethylpiperidin-4-yl)amino]propanoate is COC(=O)C(CNC1CCN(C)C(C)C1)NC(C)=O.
What is the InChIKey of methyl 2-acetamido-3-[(1,2-dimethylpiperidin-4-yl)amino]propanoate?
The InChIKey is VUNPPFCUMFNWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-9-7-11(5-6-16(9)3)14-8-12(13(18)19-4)15-10(2)17/h9,11-12,14H,5-8H2,1-4H3,(H,15,17).
What are the key properties of methyl 2-acetamido-3-[(1,2-dimethylpiperidin-4-yl)amino]propanoate?
methyl 2-acetamido-3-[(1,2-dimethylpiperidin-4-yl)amino]propanoate has a molecular weight of 271.36 g/mol, XLogP of -0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-3-[(1,2-dimethylpiperidin-4-yl)amino]propanoate is sourced from PubChem (CID 103260594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).