methyl 2-amino-3-[butyl(ethyl)amino]-2-cyclopropylpropanoate

C13H26N2O2 — CID 63906980

IUPACmethyl 2-amino-3-[butyl(ethyl)amino]-2-cyclopropylpropanoate
SMILESCCCCN(CC)CC(N)(C(=O)OC)C1CC1
InChIInChI=1S/C13H26N2O2/c1-4-6-9-15(5-2)10-13(14,11-7-8-11)12(16)17-3/h11H,4-10,14H2,1-3H3
InChIKeyIYHGYUMWHPYZSY-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.39
Rot. Bonds8

About methyl 2-amino-3-[butyl(ethyl)amino]-2-cyclopropylpropanoate

methyl 2-amino-3-[butyl(ethyl)amino]-2-cyclopropylpropanoate (PubChem CID 63906980) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is methyl 2-amino-3-[butyl(ethyl)amino]-2-cyclopropylpropanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-[butyl(ethyl)amino]-2-cyclopropylpropanoate
PubChem CID63906980
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Namemethyl 2-amino-3-[butyl(ethyl)amino]-2-cyclopropylpropanoate
SMILESCCCCN(CC)CC(N)(C(=O)OC)C1CC1
InChIInChI=1S/C13H26N2O2/c1-4-6-9-15(5-2)10-13(14,11-7-8-11)12(16)17-3/h11H,4-10,14H2,1-3H3
InChIKeyIYHGYUMWHPYZSY-UHFFFAOYSA-N
XLogP1.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-3-[butyl(methyl)amino]-2-cyclopropylpropanoate
CID 63907793
methyl 2-amino-2-cyclopropyl-3-[ethyl(2,2,2-trifluoroethyl)amino]propanoate
CID 63910738
methyl 2-amino-2-cyclopropyl-3-[2-(dimethylamino)ethyl-propylamino]propanoate
CID 63921401
methyl 2-amino-2-cyclopropyl-3-[ethyl(2-ethylbutyl)amino]propanoate
CID 63910171
methyl 3-[butyl(ethyl)amino]-2-cyclopropyl-2-(ethylamino)propanoate
CID 63905526
methyl 3-[butyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propanoate
CID 63906340
2-amino-2-cyclopropyl-3-[ethyl(propyl)amino]propanamide
CID 63910109
methyl 2-amino-3-[cyclopentyl(ethyl)amino]-2-cyclopropylpropanoate
CID 63911302
2-amino-2-cyclopropyl-3-(diethylamino)propanoic acid
CID 63907227
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-[2-ethoxyethyl(ethyl)amino]propanamide
CID 63928069

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-[butyl(ethyl)amino]-2-cyclopropylpropanoate?
The IUPAC name of methyl 2-amino-3-[butyl(ethyl)amino]-2-cyclopropylpropanoate (CID 63906980) is methyl 2-amino-3-[butyl(ethyl)amino]-2-cyclopropylpropanoate.
What is the SMILES notation for methyl 2-amino-3-[butyl(ethyl)amino]-2-cyclopropylpropanoate?
The canonical SMILES for methyl 2-amino-3-[butyl(ethyl)amino]-2-cyclopropylpropanoate is CCCCN(CC)CC(N)(C(=O)OC)C1CC1.
What is the InChIKey of methyl 2-amino-3-[butyl(ethyl)amino]-2-cyclopropylpropanoate?
The InChIKey is IYHGYUMWHPYZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-6-9-15(5-2)10-13(14,11-7-8-11)12(16)17-3/h11H,4-10,14H2,1-3H3.
What are the key properties of methyl 2-amino-3-[butyl(ethyl)amino]-2-cyclopropylpropanoate?
methyl 2-amino-3-[butyl(ethyl)amino]-2-cyclopropylpropanoate has a molecular weight of 242.36 g/mol, XLogP of 1.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-[butyl(ethyl)amino]-2-cyclopropylpropanoate is sourced from PubChem (CID 63906980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).