methyl 4-[1-aminopropan-2-yl(methyl)amino]butanoate

C9H20N2O2 — CID 63382982

IUPACmethyl 4-[1-aminopropan-2-yl(methyl)amino]butanoate
SMILESCOC(=O)CCCN(C)C(C)CN
InChIInChI=1S/C9H20N2O2/c1-8(7-10)11(2)6-4-5-9(12)13-3/h8H,4-7,10H2,1-3H3
InChIKeyDXYSRRNBBVHCPH-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.22
Rot. Bonds6

About methyl 4-[1-aminopropan-2-yl(methyl)amino]butanoate

methyl 4-[1-aminopropan-2-yl(methyl)amino]butanoate (PubChem CID 63382982) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is methyl 4-[1-aminopropan-2-yl(methyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[1-aminopropan-2-yl(methyl)amino]butanoate
PubChem CID63382982
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Namemethyl 4-[1-aminopropan-2-yl(methyl)amino]butanoate
SMILESCOC(=O)CCCN(C)C(C)CN
InChIInChI=1S/C9H20N2O2/c1-8(7-10)11(2)6-4-5-9(12)13-3/h8H,4-7,10H2,1-3H3
InChIKeyDXYSRRNBBVHCPH-UHFFFAOYSA-N
XLogP0.22
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[methyl(1-methylsulfanylpropan-2-yl)amino]butanoate
CID 112692200
4-[1-aminopropan-2-yl(methyl)amino]-N-methylbutanamide
CID 104556890
2-[(4-methoxy-4-oxobutyl)-methylamino]butanoic acid
CID 64661402
methyl 3-[methyl(pentan-2-yl)amino]propanoate
CID 43430775
methyl 3-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]propanoate
CID 63948089
methyl 4-[methyl(2-methylbutan-2-yl)amino]butanoate
CID 63965064
methyl 4-[2-methoxypropanoyl(methyl)amino]butanoate
CID 115588181
methyl (6S)-7-amino-6-methylheptanoate
CID 163456420
methyl 4-[methyl-[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]butanoate
CID 62013457
methyl 4-[2-[methyl(propan-2-yl)amino]ethylamino]butanoate
CID 62640130
2-N-[3-(dimethylamino)propyl]-2-N-methylpropane-1,2-diamine
CID 63693592
methyl 4-[[(2R)-2-amino-4-methylpentanoyl]-methylamino]butanoate
CID 93371964

Frequently Asked Questions

What is the IUPAC name of methyl 4-[1-aminopropan-2-yl(methyl)amino]butanoate?
The IUPAC name of methyl 4-[1-aminopropan-2-yl(methyl)amino]butanoate (CID 63382982) is methyl 4-[1-aminopropan-2-yl(methyl)amino]butanoate.
What is the SMILES notation for methyl 4-[1-aminopropan-2-yl(methyl)amino]butanoate?
The canonical SMILES for methyl 4-[1-aminopropan-2-yl(methyl)amino]butanoate is COC(=O)CCCN(C)C(C)CN.
What is the InChIKey of methyl 4-[1-aminopropan-2-yl(methyl)amino]butanoate?
The InChIKey is DXYSRRNBBVHCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-8(7-10)11(2)6-4-5-9(12)13-3/h8H,4-7,10H2,1-3H3.
What are the key properties of methyl 4-[1-aminopropan-2-yl(methyl)amino]butanoate?
methyl 4-[1-aminopropan-2-yl(methyl)amino]butanoate has a molecular weight of 188.27 g/mol, XLogP of 0.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[1-aminopropan-2-yl(methyl)amino]butanoate is sourced from PubChem (CID 63382982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).