methyl 2-[1-cyanopropyl(propyl)amino]acetate

C10H18N2O2 — CID 62012139

IUPACmethyl 2-[1-cyanopropyl(propyl)amino]acetate
SMILESCCCN(CC(=O)OC)C(C#N)CC
InChIInChI=1S/C10H18N2O2/c1-4-6-12(8-10(13)14-3)9(5-2)7-11/h9H,4-6,8H2,1-3H3
InChIKeyUKGMHUAWKGFVEY-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.17
Rot. Bonds6

About methyl 2-[1-cyanopropyl(propyl)amino]acetate

methyl 2-[1-cyanopropyl(propyl)amino]acetate (PubChem CID 62012139) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is methyl 2-[1-cyanopropyl(propyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[1-cyanopropyl(propyl)amino]acetate
PubChem CID62012139
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Namemethyl 2-[1-cyanopropyl(propyl)amino]acetate
SMILESCCCN(CC(=O)OC)C(C#N)CC
InChIInChI=1S/C10H18N2O2/c1-4-6-12(8-10(13)14-3)9(5-2)7-11/h9H,4-6,8H2,1-3H3
InChIKeyUKGMHUAWKGFVEY-UHFFFAOYSA-N
XLogP1.17
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[1-cyanopropyl(methyl)amino]acetate
CID 62026696
methyl 2-[2-cyanopropyl(propyl)amino]acetate
CID 62013506
methyl 2-[2-ethylbutyl(propyl)amino]acetate
CID 78978764
methyl 2-[[1-(diethylamino)-1-oxopropan-2-yl]-propylamino]acetate
CID 62011369
methyl 2-[2-cyanopropyl(propan-2-yl)amino]acetate
CID 62026091
methyl 2-[[1-(butylamino)-1-oxopropan-2-yl]-propylamino]acetate
CID 62010774
methyl 2-[(3-methoxy-3-oxopropyl)-propylamino]butanoate
CID 18914281
methyl 2-[[2-(dipropylamino)-2-oxoethyl]-propan-2-ylamino]acetate
CID 62027203
methyl 2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-propylamino]acetate
CID 62012910
methyl 2-[[2-oxo-2-(pentan-3-ylamino)ethyl]-propylamino]acetate
CID 61035559
methyl 2-[amino(propyl)amino]acetate
CID 123689793
methyl 2-[ethyl(pentan-2-yl)amino]acetate
CID 107885990

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-cyanopropyl(propyl)amino]acetate?
The IUPAC name of methyl 2-[1-cyanopropyl(propyl)amino]acetate (CID 62012139) is methyl 2-[1-cyanopropyl(propyl)amino]acetate.
What is the SMILES notation for methyl 2-[1-cyanopropyl(propyl)amino]acetate?
The canonical SMILES for methyl 2-[1-cyanopropyl(propyl)amino]acetate is CCCN(CC(=O)OC)C(C#N)CC.
What is the InChIKey of methyl 2-[1-cyanopropyl(propyl)amino]acetate?
The InChIKey is UKGMHUAWKGFVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-4-6-12(8-10(13)14-3)9(5-2)7-11/h9H,4-6,8H2,1-3H3.
What are the key properties of methyl 2-[1-cyanopropyl(propyl)amino]acetate?
methyl 2-[1-cyanopropyl(propyl)amino]acetate has a molecular weight of 198.27 g/mol, XLogP of 1.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-cyanopropyl(propyl)amino]acetate is sourced from PubChem (CID 62012139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).