propan-2-yl 2-[2-methylpropyl(pentan-3-yl)amino]acetate

C14H29NO2 — CID 79483387

IUPACpropan-2-yl 2-[2-methylpropyl(pentan-3-yl)amino]acetate
SMILESCCC(CC)N(CC(=O)OC(C)C)CC(C)C
InChIInChI=1S/C14H29NO2/c1-7-13(8-2)15(9-11(3)4)10-14(16)17-12(5)6/h11-13H,7-10H2,1-6H3
InChIKeyDROPVMFWZFHHER-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.08
Rot. Bonds8

About propan-2-yl 2-[2-methylpropyl(pentan-3-yl)amino]acetate

propan-2-yl 2-[2-methylpropyl(pentan-3-yl)amino]acetate (PubChem CID 79483387) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is propan-2-yl 2-[2-methylpropyl(pentan-3-yl)amino]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[2-methylpropyl(pentan-3-yl)amino]acetate
PubChem CID79483387
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Namepropan-2-yl 2-[2-methylpropyl(pentan-3-yl)amino]acetate
SMILESCCC(CC)N(CC(=O)OC(C)C)CC(C)C
InChIInChI=1S/C14H29NO2/c1-7-13(8-2)15(9-11(3)4)10-14(16)17-12(5)6/h11-13H,7-10H2,1-6H3
InChIKeyDROPVMFWZFHHER-UHFFFAOYSA-N
XLogP3.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Glycine, N,N-diisobutyl-, ethyl ester
CID 17538
Glycine, N,N-diisopentyl-, ethyl ester
CID 17698
2-[Di(propan-2-yl)amino]ethyl 2-methylpropanoate
CID 53923268
N,N-Diisopropylglycine ethyl ester
CID 13010783
Ethyl 2-[3-fluoropropyl(propan-2-yl)amino]acetate
CID 81113670
3-(Acetyloxy)-N,N,N-trimethylbutan-2-aminium iodide
CID 21144721
Diisopropylamino-acetic acid-tert.butylester
CID 11333389
Diethylamino propionic acid ethyl ester
CID 13010788
Butan-2-yl 2-(dimethylamino)propanoate
CID 13992366
Ethyl 2-[tert-butyl(methyl)amino]acetate
CID 14262163
Ethyl 2-(2-methylmorpholin-4-yl)propanoate
CID 19738040
2-Methylpropyl 2-(diethylamino)acetate
CID 20694675

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[2-methylpropyl(pentan-3-yl)amino]acetate?
The IUPAC name of propan-2-yl 2-[2-methylpropyl(pentan-3-yl)amino]acetate (CID 79483387) is propan-2-yl 2-[2-methylpropyl(pentan-3-yl)amino]acetate.
What is the SMILES notation for propan-2-yl 2-[2-methylpropyl(pentan-3-yl)amino]acetate?
The canonical SMILES for propan-2-yl 2-[2-methylpropyl(pentan-3-yl)amino]acetate is CCC(CC)N(CC(=O)OC(C)C)CC(C)C.
What is the InChIKey of propan-2-yl 2-[2-methylpropyl(pentan-3-yl)amino]acetate?
The InChIKey is DROPVMFWZFHHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-7-13(8-2)15(9-11(3)4)10-14(16)17-12(5)6/h11-13H,7-10H2,1-6H3.
What are the key properties of propan-2-yl 2-[2-methylpropyl(pentan-3-yl)amino]acetate?
propan-2-yl 2-[2-methylpropyl(pentan-3-yl)amino]acetate has a molecular weight of 243.39 g/mol, XLogP of 3.08, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[2-methylpropyl(pentan-3-yl)amino]acetate is sourced from PubChem (CID 79483387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).