methyl 2-amino-4-[butyl(methyl)amino]-2-methylpentanoate

C12H26N2O2 — CID 64725725

IUPACmethyl 2-amino-4-[butyl(methyl)amino]-2-methylpentanoate
SMILESCCCCN(C)C(C)CC(C)(N)C(=O)OC
InChIInChI=1S/C12H26N2O2/c1-6-7-8-14(4)10(2)9-12(3,13)11(15)16-5/h10H,6-9,13H2,1-5H3
InChIKeyMCCMVFIQYUHQBL-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.39
Rot. Bonds7

About methyl 2-amino-4-[butyl(methyl)amino]-2-methylpentanoate

methyl 2-amino-4-[butyl(methyl)amino]-2-methylpentanoate (PubChem CID 64725725) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is methyl 2-amino-4-[butyl(methyl)amino]-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-amino-4-[butyl(methyl)amino]-2-methylpentanoate
PubChem CID64725725
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Namemethyl 2-amino-4-[butyl(methyl)amino]-2-methylpentanoate
SMILESCCCCN(C)C(C)CC(C)(N)C(=O)OC
InChIInChI=1S/C12H26N2O2/c1-6-7-8-14(4)10(2)9-12(3,13)11(15)16-5/h10H,6-9,13H2,1-5H3
InChIKeyMCCMVFIQYUHQBL-UHFFFAOYSA-N
XLogP1.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-2-methyl-4-[propan-2-yl(propyl)amino]pentanoate
CID 64725651
methyl 2-amino-2-methyl-4-[methyl(pentan-2-yl)amino]pentanoate
CID 64710385
methyl 2-amino-4-[2-methoxyethyl(3-methoxypropyl)amino]-2-methylpentanoate
CID 64710865
methyl (2R)-2-amino-2-methylhexanoate
CID 155453684
2-methyl-2-(methylamino)-4-[methyl(pentyl)amino]pentanamide
CID 64710154
methyl 2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-methylpentanoate
CID 64703757
2-[butyl(methyl)amino]propanamide
CID 60644986
methyl (2S)-2-[methyl(pentyl)amino]propanoate
CID 21097433
2-(cyclopropylamino)-2-methyl-4-[methyl(pentyl)amino]pentanamide
CID 64710348
methyl 2-amino-4-[cyclopropylmethyl(propan-2-yl)amino]-2-methylpentanoate
CID 64711469
methyl 2-amino-4-[cyclopropyl(2-methylpropyl)amino]-2-methylpentanoate
CID 64709489
2-amino-4-[2-ethoxyethyl(methyl)amino]-2-methylpentanamide
CID 81061651

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-[butyl(methyl)amino]-2-methylpentanoate?
The IUPAC name of methyl 2-amino-4-[butyl(methyl)amino]-2-methylpentanoate (CID 64725725) is methyl 2-amino-4-[butyl(methyl)amino]-2-methylpentanoate.
What is the SMILES notation for methyl 2-amino-4-[butyl(methyl)amino]-2-methylpentanoate?
The canonical SMILES for methyl 2-amino-4-[butyl(methyl)amino]-2-methylpentanoate is CCCCN(C)C(C)CC(C)(N)C(=O)OC.
What is the InChIKey of methyl 2-amino-4-[butyl(methyl)amino]-2-methylpentanoate?
The InChIKey is MCCMVFIQYUHQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-6-7-8-14(4)10(2)9-12(3,13)11(15)16-5/h10H,6-9,13H2,1-5H3.
What are the key properties of methyl 2-amino-4-[butyl(methyl)amino]-2-methylpentanoate?
methyl 2-amino-4-[butyl(methyl)amino]-2-methylpentanoate has a molecular weight of 230.35 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-[butyl(methyl)amino]-2-methylpentanoate is sourced from PubChem (CID 64725725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).