methyl 4-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)butanoate

C14H30N2O3 — CID 82959551

IUPACmethyl 4-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)butanoate
SMILESCCCNC(CCN(CCOC)C(C)C)C(=O)OC
InChIInChI=1S/C14H30N2O3/c1-6-8-15-13(14(17)19-5)7-9-16(12(2)3)10-11-18-4/h12-13,15H,6-11H2,1-5H3
InChIKeyFKCXTVWUUIHGSJ-UHFFFAOYSA-N
MW274.40 g/mol
LogP1.27
Rot. Bonds11

About methyl 4-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)butanoate

methyl 4-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)butanoate (PubChem CID 82959551) has the molecular formula C14H30N2O3 and a molecular weight of 274.40 g/mol. Its IUPAC name is methyl 4-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)butanoate
PubChem CID82959551
Molecular FormulaC14H30N2O3
Molecular Weight274.40 g/mol
Exact Mass274.23
IUPAC Namemethyl 4-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)butanoate
SMILESCCCNC(CCN(CCOC)C(C)C)C(=O)OC
InChIInChI=1S/C14H30N2O3/c1-6-8-15-13(14(17)19-5)7-9-16(12(2)3)10-11-18-4/h12-13,15H,6-11H2,1-5H3
InChIKeyFKCXTVWUUIHGSJ-UHFFFAOYSA-N
XLogP1.27
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)butanoate
CID 82959677
methyl 2-(ethylamino)-4-[propan-2-yl(propyl)amino]butanoate
CID 63028254
4-[butan-2-yl(2-methoxyethyl)amino]-2-(propylamino)butanoic acid
CID 63054650
methyl 4-(dimethylamino)-2-(propylamino)butanoate
CID 63027229
methyl (2S)-2-(propylamino)pentanoate
CID 141145827
methyl 2-(propylamino)pentanoate
CID 60795873
methyl 2-(propan-2-ylamino)-4-[propan-2-yl(propyl)amino]butanoate
CID 63028441
methyl 4-[butyl(methyl)amino]-2-(propylamino)butanoate
CID 63027533
methyl 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(propylamino)butanoate
CID 55143734
methyl 4-[methyl(2-methylbutyl)amino]-2-(propylamino)butanoate
CID 63029407
ethyl 4-[methyl(propan-2-yl)amino]-2-(propylamino)butanoate
CID 63029941
4-[2-methylpropyl(propan-2-yl)amino]-2-(propylamino)butanamide
CID 63053089

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)butanoate?
The IUPAC name of methyl 4-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)butanoate (CID 82959551) is methyl 4-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)butanoate.
What is the SMILES notation for methyl 4-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)butanoate?
The canonical SMILES for methyl 4-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)butanoate is CCCNC(CCN(CCOC)C(C)C)C(=O)OC.
What is the InChIKey of methyl 4-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)butanoate?
The InChIKey is FKCXTVWUUIHGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O3/c1-6-8-15-13(14(17)19-5)7-9-16(12(2)3)10-11-18-4/h12-13,15H,6-11H2,1-5H3.
What are the key properties of methyl 4-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)butanoate?
methyl 4-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)butanoate has a molecular weight of 274.40 g/mol, XLogP of 1.27, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)butanoate is sourced from PubChem (CID 82959551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).