ethyl 2-amino-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoate

C14H29N3O2 — CID 63236833

IUPACethyl 2-amino-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoate
SMILESCCOC(=O)C(C)(N)CN(C)CC1CCN(C)CC1
InChIInChI=1S/C14H29N3O2/c1-5-19-13(18)14(2,15)11-17(4)10-12-6-8-16(3)9-7-12/h12H,5-11,15H2,1-4H3
InChIKeyCKBHCHBYVFYJBC-UHFFFAOYSA-N
MW271.40 g/mol
LogP0.54
Rot. Bonds6

About ethyl 2-amino-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoate

ethyl 2-amino-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoate (PubChem CID 63236833) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is ethyl 2-amino-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 2-amino-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoate
PubChem CID63236833
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Nameethyl 2-amino-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoate
SMILESCCOC(=O)C(C)(N)CN(C)CC1CCN(C)CC1
InChIInChI=1S/C14H29N3O2/c1-5-19-13(18)14(2,15)11-17(4)10-12-6-8-16(3)9-7-12/h12H,5-11,15H2,1-4H3
InChIKeyCKBHCHBYVFYJBC-UHFFFAOYSA-N
XLogP0.54
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanamide
CID 55174419
methyl 2-amino-2-methyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanoate
CID 55171631
methyl 2-amino-3-[cyclobutylmethyl(methyl)amino]-2-methylpropanoate
CID 62861557
2-methyl-1-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-2-ol
CID 63236517
2-methyl-1-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-2-ol
CID 114495626
2-amino-N,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]pentanamide
CID 63234440
ethyl 4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-3-oxobutanoate
CID 63897372
2-(ethylamino)-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoic acid
CID 63236743
2-amino-2-methyl-5-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pentanamide
CID 63236966
ethyl (E)-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]but-2-enoate
CID 80549712
ethyl 2-methyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]propanoate
CID 115128909
2-ethyl-1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]butane-1,2-diamine
CID 79814121

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoate?
The IUPAC name of ethyl 2-amino-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoate (CID 63236833) is ethyl 2-amino-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoate.
What is the SMILES notation for ethyl 2-amino-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoate?
The canonical SMILES for ethyl 2-amino-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoate is CCOC(=O)C(C)(N)CN(C)CC1CCN(C)CC1.
What is the InChIKey of ethyl 2-amino-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoate?
The InChIKey is CKBHCHBYVFYJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-5-19-13(18)14(2,15)11-17(4)10-12-6-8-16(3)9-7-12/h12H,5-11,15H2,1-4H3.
What are the key properties of ethyl 2-amino-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoate?
ethyl 2-amino-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoate has a molecular weight of 271.40 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoate is sourced from PubChem (CID 63236833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).