methyl 2-amino-2-cyclopropyl-3-[2-(dimethylamino)ethyl-propylamino]propanoate

C14H29N3O2 — CID 63921401

IUPACmethyl 2-amino-2-cyclopropyl-3-[2-(dimethylamino)ethyl-propylamino]propanoate
SMILESCCCN(CCN(C)C)CC(N)(C(=O)OC)C1CC1
InChIInChI=1S/C14H29N3O2/c1-5-8-17(10-9-16(2)3)11-14(15,12-6-7-12)13(18)19-4/h12H,5-11,15H2,1-4H3
InChIKeyIENXOXPGCNGHRX-UHFFFAOYSA-N
MW271.40 g/mol
LogP0.54
Rot. Bonds9

About methyl 2-amino-2-cyclopropyl-3-[2-(dimethylamino)ethyl-propylamino]propanoate

methyl 2-amino-2-cyclopropyl-3-[2-(dimethylamino)ethyl-propylamino]propanoate (PubChem CID 63921401) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is methyl 2-amino-2-cyclopropyl-3-[2-(dimethylamino)ethyl-propylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-amino-2-cyclopropyl-3-[2-(dimethylamino)ethyl-propylamino]propanoate
PubChem CID63921401
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Namemethyl 2-amino-2-cyclopropyl-3-[2-(dimethylamino)ethyl-propylamino]propanoate
SMILESCCCN(CCN(C)C)CC(N)(C(=O)OC)C1CC1
InChIInChI=1S/C14H29N3O2/c1-5-8-17(10-9-16(2)3)11-14(15,12-6-7-12)13(18)19-4/h12H,5-11,15H2,1-4H3
InChIKeyIENXOXPGCNGHRX-UHFFFAOYSA-N
XLogP0.54
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
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

methyl 2-amino-3-[butyl(ethyl)amino]-2-cyclopropylpropanoate
CID 63906980
methyl 2-amino-3-[butyl(methyl)amino]-2-cyclopropylpropanoate
CID 63907793
ethyl 2-amino-2-cyclopropyl-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propanoate
CID 63911135
methyl 2-amino-2-cyclopropyl-3-[ethyl(2,2,2-trifluoroethyl)amino]propanoate
CID 63910738
methyl 2-amino-2-cyclopropyl-3-[ethyl(2-ethylbutyl)amino]propanoate
CID 63910171
ethyl 2-amino-2-cyclopropyl-3-[cyclopropylmethyl(propyl)amino]propanoate
CID 63910163
methyl 2-amino-2-cyclopropyl-3-[1-(dimethylamino)propan-2-yl-ethylamino]propanoate
CID 103190963
methyl 2-amino-2-cyclopropyl-3-[methyl(3-methylbutyl)amino]propanoate
CID 63916861
2-amino-2-cyclopropyl-3-[ethyl(propyl)amino]propanamide
CID 63910109
methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(dipropylamino)propanoate
CID 63905808
methyl 2-amino-3-[cyclopentyl(ethyl)amino]-2-cyclopropylpropanoate
CID 63911302
methyl 2-amino-2-cyclopropyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propanoate
CID 63927657

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-cyclopropyl-3-[2-(dimethylamino)ethyl-propylamino]propanoate?
The IUPAC name of methyl 2-amino-2-cyclopropyl-3-[2-(dimethylamino)ethyl-propylamino]propanoate (CID 63921401) is methyl 2-amino-2-cyclopropyl-3-[2-(dimethylamino)ethyl-propylamino]propanoate.
What is the SMILES notation for methyl 2-amino-2-cyclopropyl-3-[2-(dimethylamino)ethyl-propylamino]propanoate?
The canonical SMILES for methyl 2-amino-2-cyclopropyl-3-[2-(dimethylamino)ethyl-propylamino]propanoate is CCCN(CCN(C)C)CC(N)(C(=O)OC)C1CC1.
What is the InChIKey of methyl 2-amino-2-cyclopropyl-3-[2-(dimethylamino)ethyl-propylamino]propanoate?
The InChIKey is IENXOXPGCNGHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-5-8-17(10-9-16(2)3)11-14(15,12-6-7-12)13(18)19-4/h12H,5-11,15H2,1-4H3.
What are the key properties of methyl 2-amino-2-cyclopropyl-3-[2-(dimethylamino)ethyl-propylamino]propanoate?
methyl 2-amino-2-cyclopropyl-3-[2-(dimethylamino)ethyl-propylamino]propanoate has a molecular weight of 271.40 g/mol, XLogP of 0.54, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-cyclopropyl-3-[2-(dimethylamino)ethyl-propylamino]propanoate is sourced from PubChem (CID 63921401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).