methyl 4-[cyclopropyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoate

C13H26N2O2 — CID 64728233

IUPACmethyl 4-[cyclopropyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoate
SMILESCCN(C(C)CC(C)(NC)C(=O)OC)C1CC1
InChIInChI=1S/C13H26N2O2/c1-6-15(11-7-8-11)10(2)9-13(3,14-4)12(16)17-5/h10-11,14H,6-9H2,1-5H3
InChIKeyRVFRXTMPAWWAGC-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.40
Rot. Bonds7

About methyl 4-[cyclopropyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoate

methyl 4-[cyclopropyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoate (PubChem CID 64728233) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is methyl 4-[cyclopropyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoate.

Molecular Properties

Compound Namemethyl 4-[cyclopropyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoate
PubChem CID64728233
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Namemethyl 4-[cyclopropyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoate
SMILESCCN(C(C)CC(C)(NC)C(=O)OC)C1CC1
InChIInChI=1S/C13H26N2O2/c1-6-15(11-7-8-11)10(2)9-13(3,14-4)12(16)17-5/h10-11,14H,6-9H2,1-5H3
InChIKeyRVFRXTMPAWWAGC-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[cyclohexyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoate
CID 64728349
4-[cyclopropyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoic acid
CID 64725859
methyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(ethylamino)-2-methylpentanoate
CID 78998497
2-(cyclopropylamino)-4-[cyclopropyl(ethyl)amino]-2-methylpentanoic acid
CID 64728237
4-[cyclopropyl(2-methylpropyl)amino]-2-methyl-2-(methylamino)pentanamide
CID 64709685
methyl 2-amino-4-[cyclopropyl(2-methylpropyl)amino]-2-methylpentanoate
CID 64709489
2-amino-4-[cyclopropyl(ethyl)amino]-2-methylpentanoic acid
CID 64728240
4-[cyclopropyl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64709693
methyl 2-methyl-2-(methylamino)-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pentanoate
CID 64703591
methyl 2-methyl-2-(methylamino)-4-[methyl(oxolan-2-ylmethyl)amino]pentanoate
CID 64709105
methyl 2-methyl-2-(methylamino)-4-[methyl(oxan-2-ylmethyl)amino]pentanoate
CID 64709856
methyl 2-methyl-2-(methylamino)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pentanoate
CID 64705195

Frequently Asked Questions

What is the IUPAC name of methyl 4-[cyclopropyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoate?
The IUPAC name of methyl 4-[cyclopropyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoate (CID 64728233) is methyl 4-[cyclopropyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoate.
What is the SMILES notation for methyl 4-[cyclopropyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoate?
The canonical SMILES for methyl 4-[cyclopropyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoate is CCN(C(C)CC(C)(NC)C(=O)OC)C1CC1.
What is the InChIKey of methyl 4-[cyclopropyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoate?
The InChIKey is RVFRXTMPAWWAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-6-15(11-7-8-11)10(2)9-13(3,14-4)12(16)17-5/h10-11,14H,6-9H2,1-5H3.
What are the key properties of methyl 4-[cyclopropyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoate?
methyl 4-[cyclopropyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoate has a molecular weight of 242.36 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[cyclopropyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoate is sourced from PubChem (CID 64728233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).