propan-2-yl 2-[3-aminopropyl(methyl)amino]acetate

C9H20N2O2 — CID 115319244

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

About propan-2-yl 2-[3-aminopropyl(methyl)amino]acetate

propan-2-yl 2-[3-aminopropyl(methyl)amino]acetate (PubChem CID 115319244) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is propan-2-yl 2-[3-aminopropyl(methyl)amino]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[3-aminopropyl(methyl)amino]acetate
PubChem CID115319244
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Namepropan-2-yl 2-[3-aminopropyl(methyl)amino]acetate
SMILESCC(C)OC(=O)CN(C)CCCN
InChIInChI=1S/C9H20N2O2/c1-8(2)13-9(12)7-11(3)6-4-5-10/h8H,4-7,10H2,1-3H3
InChIKeyBPZUDMAJNGCRFV-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

2-[methyl-(2-oxo-2-propan-2-yloxyethyl)amino]ethylsulfinothioyl 2-aminoacetate
CID 139298024
N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;bis(2-methylpropane)
CID 145273852
propan-2-yl 2-[methyl(propanoyl)amino]acetate
CID 59695660
2-[4-aminobutyl(methyl)amino]acetic acid
CID 144844838
2-[4-aminobutyl(methyl)amino]acetic acid;azane
CID 172717710
1-[5-aminopentyl(methyl)amino]propan-2-one
CID 58052223
N-(3-aminopropyl)-2-[3-methoxypropyl(methyl)amino]-N-methylacetamide
CID 62984269
ethyl 2-[2-aminoethyl(methyl)amino]acetate;hydrochloride
CID 154726143
3-[3-aminopropyl(methyl)amino]propyl carbamate
CID 155026882
2-[3-aminopropyl(methyl)amino]-N-ethyl-N-phenylacetamide
CID 81494005
propan-2-yl 2-[(2-fluorophenyl)methyl-methylamino]acetate
CID 54940308
tert-butyl 3-[2-aminoethyl-(2-oxo-2-propan-2-yloxyethyl)amino]propanoate
CID 143969988

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[3-aminopropyl(methyl)amino]acetate?
The IUPAC name of propan-2-yl 2-[3-aminopropyl(methyl)amino]acetate (CID 115319244) is propan-2-yl 2-[3-aminopropyl(methyl)amino]acetate.
What is the SMILES notation for propan-2-yl 2-[3-aminopropyl(methyl)amino]acetate?
The canonical SMILES for propan-2-yl 2-[3-aminopropyl(methyl)amino]acetate is CC(C)OC(=O)CN(C)CCCN.
What is the InChIKey of propan-2-yl 2-[3-aminopropyl(methyl)amino]acetate?
The InChIKey is BPZUDMAJNGCRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-8(2)13-9(12)7-11(3)6-4-5-10/h8H,4-7,10H2,1-3H3.
What are the key properties of propan-2-yl 2-[3-aminopropyl(methyl)amino]acetate?
propan-2-yl 2-[3-aminopropyl(methyl)amino]acetate 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 propan-2-yl 2-[3-aminopropyl(methyl)amino]acetate is sourced from PubChem (CID 115319244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).