methyl 2-amino-2-cyclopropyl-3-[1-(dimethylamino)propan-2-yl-ethylamino]propanoate

C14H29N3O2 — CID 103190963

IUPACmethyl 2-amino-2-cyclopropyl-3-[1-(dimethylamino)propan-2-yl-ethylamino]propanoate
SMILESCCN(CC(N)(C(=O)OC)C1CC1)C(C)CN(C)C
InChIInChI=1S/C14H29N3O2/c1-6-17(11(2)9-16(3)4)10-14(15,12-7-8-12)13(18)19-5/h11-12H,6-10,15H2,1-5H3
InChIKeyIJBWEPILNJFWPB-UHFFFAOYSA-N
MW271.40 g/mol
LogP0.54
Rot. Bonds8

About methyl 2-amino-2-cyclopropyl-3-[1-(dimethylamino)propan-2-yl-ethylamino]propanoate

methyl 2-amino-2-cyclopropyl-3-[1-(dimethylamino)propan-2-yl-ethylamino]propanoate (PubChem CID 103190963) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is methyl 2-amino-2-cyclopropyl-3-[1-(dimethylamino)propan-2-yl-ethylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-amino-2-cyclopropyl-3-[1-(dimethylamino)propan-2-yl-ethylamino]propanoate
PubChem CID103190963
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Namemethyl 2-amino-2-cyclopropyl-3-[1-(dimethylamino)propan-2-yl-ethylamino]propanoate
SMILESCCN(CC(N)(C(=O)OC)C1CC1)C(C)CN(C)C
InChIInChI=1S/C14H29N3O2/c1-6-17(11(2)9-16(3)4)10-14(15,12-7-8-12)13(18)19-5/h11-12H,6-10,15H2,1-5H3
InChIKeyIJBWEPILNJFWPB-UHFFFAOYSA-N
XLogP0.54
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
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-2-cyclopropyl-3-[methyl(3-methylbutyl)amino]propanoate
CID 63916861
ethyl 2-amino-2-cyclopropyl-3-[ethyl(propan-2-yl)amino]propanoate
CID 63910297
methyl 2-amino-2-cyclopropyl-3-[ethyl(2-ethylbutyl)amino]propanoate
CID 63910171
methyl 2-amino-2-cyclopropyl-3-[2-(dimethylamino)ethyl-propylamino]propanoate
CID 63921401
methyl 2-amino-3-[butyl(methyl)amino]-2-cyclopropylpropanoate
CID 63907793
methyl 2-amino-3-[cyclopentyl(ethyl)amino]-2-cyclopropylpropanoate
CID 63911302
methyl 2-amino-2-cyclopropyl-3-[ethyl(2,2,2-trifluoroethyl)amino]propanoate
CID 63910738
methyl 2-amino-3-[butyl(ethyl)amino]-2-cyclopropylpropanoate
CID 63906980
2-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylpropanoic acid
CID 103190936
ethyl 3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methyl-2-(propan-2-ylamino)propanoate
CID 103190949
ethyl 2-amino-2-cyclopropyl-3-[propan-2-yl(propyl)amino]propanoate
CID 63910108
ethyl 2-amino-2-cyclopropyl-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propanoate
CID 63911135

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-cyclopropyl-3-[1-(dimethylamino)propan-2-yl-ethylamino]propanoate?
The IUPAC name of methyl 2-amino-2-cyclopropyl-3-[1-(dimethylamino)propan-2-yl-ethylamino]propanoate (CID 103190963) is methyl 2-amino-2-cyclopropyl-3-[1-(dimethylamino)propan-2-yl-ethylamino]propanoate.
What is the SMILES notation for methyl 2-amino-2-cyclopropyl-3-[1-(dimethylamino)propan-2-yl-ethylamino]propanoate?
The canonical SMILES for methyl 2-amino-2-cyclopropyl-3-[1-(dimethylamino)propan-2-yl-ethylamino]propanoate is CCN(CC(N)(C(=O)OC)C1CC1)C(C)CN(C)C.
What is the InChIKey of methyl 2-amino-2-cyclopropyl-3-[1-(dimethylamino)propan-2-yl-ethylamino]propanoate?
The InChIKey is IJBWEPILNJFWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-6-17(11(2)9-16(3)4)10-14(15,12-7-8-12)13(18)19-5/h11-12H,6-10,15H2,1-5H3.
What are the key properties of methyl 2-amino-2-cyclopropyl-3-[1-(dimethylamino)propan-2-yl-ethylamino]propanoate?
methyl 2-amino-2-cyclopropyl-3-[1-(dimethylamino)propan-2-yl-ethylamino]propanoate has a molecular weight of 271.40 g/mol, XLogP of 0.54, 8 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-[1-(dimethylamino)propan-2-yl-ethylamino]propanoate is sourced from PubChem (CID 103190963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).