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

C12H24N2O2 — CID 63907793

IUPACmethyl 2-amino-3-[butyl(methyl)amino]-2-cyclopropylpropanoate
SMILESCCCCN(C)CC(N)(C(=O)OC)C1CC1
InChIInChI=1S/C12H24N2O2/c1-4-5-8-14(2)9-12(13,10-6-7-10)11(15)16-3/h10H,4-9,13H2,1-3H3
InChIKeyUBAUKESXLKTLKM-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.00
Rot. Bonds7

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

methyl 2-amino-3-[butyl(methyl)amino]-2-cyclopropylpropanoate (PubChem CID 63907793) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is methyl 2-amino-3-[butyl(methyl)amino]-2-cyclopropylpropanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-[butyl(methyl)amino]-2-cyclopropylpropanoate
PubChem CID63907793
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Namemethyl 2-amino-3-[butyl(methyl)amino]-2-cyclopropylpropanoate
SMILESCCCCN(C)CC(N)(C(=O)OC)C1CC1
InChIInChI=1S/C12H24N2O2/c1-4-5-8-14(2)9-12(13,10-6-7-10)11(15)16-3/h10H,4-9,13H2,1-3H3
InChIKeyUBAUKESXLKTLKM-UHFFFAOYSA-N
XLogP1.00
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-3-[butyl(ethyl)amino]-2-cyclopropylpropanoate
CID 63906980
methyl 2-amino-2-cyclopropyl-3-[methyl(3-methylbutyl)amino]propanoate
CID 63916861
2-amino-2-cyclopropyl-3-[methyl(pentyl)amino]propanoic acid
CID 63910898
methyl 2-amino-2-cyclopropyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propanoate
CID 63927657
methyl 2-amino-2-cyclopropyl-3-[2-(dimethylamino)ethyl-propylamino]propanoate
CID 63921401
2-amino-2-cyclopropyl-3-[3-methoxypropyl(methyl)amino]propanamide
CID 63925804
2-amino-2-cyclopropyl-3-[methyl(propyl)amino]propanamide
CID 63906412
ethyl 3-[butyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanoate
CID 63908426
methyl 3-[butyl(methyl)amino]-2,2-dimethylpropanoate
CID 79624643
ethyl 2-amino-2-cyclopropyl-3-[ethyl(methyl)amino]propanoate
CID 63906608
methyl 2-amino-2-cyclopropyl-3-[ethyl(2,2,2-trifluoroethyl)amino]propanoate
CID 63910738
methyl 2-amino-3-[cyclopentyl(ethyl)amino]-2-cyclopropylpropanoate
CID 63911302

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-[butyl(methyl)amino]-2-cyclopropylpropanoate?
The IUPAC name of methyl 2-amino-3-[butyl(methyl)amino]-2-cyclopropylpropanoate (CID 63907793) is methyl 2-amino-3-[butyl(methyl)amino]-2-cyclopropylpropanoate.
What is the SMILES notation for methyl 2-amino-3-[butyl(methyl)amino]-2-cyclopropylpropanoate?
The canonical SMILES for methyl 2-amino-3-[butyl(methyl)amino]-2-cyclopropylpropanoate is CCCCN(C)CC(N)(C(=O)OC)C1CC1.
What is the InChIKey of methyl 2-amino-3-[butyl(methyl)amino]-2-cyclopropylpropanoate?
The InChIKey is UBAUKESXLKTLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-5-8-14(2)9-12(13,10-6-7-10)11(15)16-3/h10H,4-9,13H2,1-3H3.
What are the key properties of methyl 2-amino-3-[butyl(methyl)amino]-2-cyclopropylpropanoate?
methyl 2-amino-3-[butyl(methyl)amino]-2-cyclopropylpropanoate has a molecular weight of 228.34 g/mol, XLogP of 1.00, 7 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(methyl)amino]-2-cyclopropylpropanoate is sourced from PubChem (CID 63907793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).