methyl 2-amino-4-[cyclopropylmethyl(propan-2-yl)amino]-2-methylpentanoate

C14H28N2O2 — CID 64711469

IUPACmethyl 2-amino-4-[cyclopropylmethyl(propan-2-yl)amino]-2-methylpentanoate
SMILESCOC(=O)C(C)(N)CC(C)N(CC1CC1)C(C)C
InChIInChI=1S/C14H28N2O2/c1-10(2)16(9-12-6-7-12)11(3)8-14(4,15)13(17)18-5/h10-12H,6-9,15H2,1-5H3
InChIKeyZPEUSNBMXOWJKN-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.78
Rot. Bonds7

About methyl 2-amino-4-[cyclopropylmethyl(propan-2-yl)amino]-2-methylpentanoate

methyl 2-amino-4-[cyclopropylmethyl(propan-2-yl)amino]-2-methylpentanoate (PubChem CID 64711469) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is methyl 2-amino-4-[cyclopropylmethyl(propan-2-yl)amino]-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-amino-4-[cyclopropylmethyl(propan-2-yl)amino]-2-methylpentanoate
PubChem CID64711469
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Namemethyl 2-amino-4-[cyclopropylmethyl(propan-2-yl)amino]-2-methylpentanoate
SMILESCOC(=O)C(C)(N)CC(C)N(CC1CC1)C(C)C
InChIInChI=1S/C14H28N2O2/c1-10(2)16(9-12-6-7-12)11(3)8-14(4,15)13(17)18-5/h10-12H,6-9,15H2,1-5H3
InChIKeyZPEUSNBMXOWJKN-UHFFFAOYSA-N
XLogP1.78
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[cyclopropylmethyl(propan-2-yl)amino]-2-(ethylamino)-2-methylpentanoate
CID 64710892
methyl 2-amino-2-methyl-4-[propan-2-yl(propyl)amino]pentanoate
CID 64725651
2-amino-4-[cyclopropylmethyl(propan-2-yl)amino]-2-methylpentan-1-ol
CID 64826211
methyl 2-amino-4-[cyclopropyl(2-methylpropyl)amino]-2-methylpentanoate
CID 64709489
methyl 2-amino-2-methyl-4-[methyl(pentan-2-yl)amino]pentanoate
CID 64710385
methyl 2-(cyclopropylamino)-4-[cyclopropylmethyl(methyl)amino]-2-methylpentanoate
CID 64709824
methyl 2-amino-4-[butyl(methyl)amino]-2-methylpentanoate
CID 64725725
methyl 2-amino-3-[cyclobutylmethyl(methyl)amino]-2-methylpropanoate
CID 62861557
2-N-(cyclopropylmethyl)-1-N-methyl-2-N-propan-2-ylpropane-1,2-diamine
CID 62411973
methyl 2-amino-4-[4-(dimethylamino)piperidin-1-yl]-2-methylpentanoate
CID 64712123
2-amino-4-[cyclopropylmethyl(propyl)amino]-2-methylpentanamide
CID 64711426
methyl 2-amino-4-[2-methoxyethyl(3-methoxypropyl)amino]-2-methylpentanoate
CID 64710865

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-[cyclopropylmethyl(propan-2-yl)amino]-2-methylpentanoate?
The IUPAC name of methyl 2-amino-4-[cyclopropylmethyl(propan-2-yl)amino]-2-methylpentanoate (CID 64711469) is methyl 2-amino-4-[cyclopropylmethyl(propan-2-yl)amino]-2-methylpentanoate.
What is the SMILES notation for methyl 2-amino-4-[cyclopropylmethyl(propan-2-yl)amino]-2-methylpentanoate?
The canonical SMILES for methyl 2-amino-4-[cyclopropylmethyl(propan-2-yl)amino]-2-methylpentanoate is COC(=O)C(C)(N)CC(C)N(CC1CC1)C(C)C.
What is the InChIKey of methyl 2-amino-4-[cyclopropylmethyl(propan-2-yl)amino]-2-methylpentanoate?
The InChIKey is ZPEUSNBMXOWJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-10(2)16(9-12-6-7-12)11(3)8-14(4,15)13(17)18-5/h10-12H,6-9,15H2,1-5H3.
What are the key properties of methyl 2-amino-4-[cyclopropylmethyl(propan-2-yl)amino]-2-methylpentanoate?
methyl 2-amino-4-[cyclopropylmethyl(propan-2-yl)amino]-2-methylpentanoate has a molecular weight of 256.39 g/mol, XLogP of 1.78, 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-[cyclopropylmethyl(propan-2-yl)amino]-2-methylpentanoate is sourced from PubChem (CID 64711469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).