methyl 2-amino-2-methyl-4-[propan-2-yl(propyl)amino]pentanoate

C13H28N2O2 — CID 64725651

IUPACmethyl 2-amino-2-methyl-4-[propan-2-yl(propyl)amino]pentanoate
SMILESCCCN(C(C)C)C(C)CC(C)(N)C(=O)OC
InChIInChI=1S/C13H28N2O2/c1-7-8-15(10(2)3)11(4)9-13(5,14)12(16)17-6/h10-11H,7-9,14H2,1-6H3
InChIKeyTWJKWORHSLTZPP-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.78
Rot. Bonds7

About methyl 2-amino-2-methyl-4-[propan-2-yl(propyl)amino]pentanoate

methyl 2-amino-2-methyl-4-[propan-2-yl(propyl)amino]pentanoate (PubChem CID 64725651) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is methyl 2-amino-2-methyl-4-[propan-2-yl(propyl)amino]pentanoate.

Molecular Properties

Compound Namemethyl 2-amino-2-methyl-4-[propan-2-yl(propyl)amino]pentanoate
PubChem CID64725651
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Namemethyl 2-amino-2-methyl-4-[propan-2-yl(propyl)amino]pentanoate
SMILESCCCN(C(C)C)C(C)CC(C)(N)C(=O)OC
InChIInChI=1S/C13H28N2O2/c1-7-8-15(10(2)3)11(4)9-13(5,14)12(16)17-6/h10-11H,7-9,14H2,1-6H3
InChIKeyTWJKWORHSLTZPP-UHFFFAOYSA-N
XLogP1.78
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-4-[cyclopropylmethyl(propan-2-yl)amino]-2-methylpentanoate
CID 64711469
methyl 2-amino-4-[butyl(methyl)amino]-2-methylpentanoate
CID 64725725
ethyl 2-methyl-2-(methylamino)-4-[propan-2-yl(propyl)amino]pentanoate
CID 64725654
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 2-amino-4-[cyclopropyl(2-methylpropyl)amino]-2-methylpentanoate
CID 64709489
methyl 2-amino-2-methyl-4-(2-propoxyethoxy)pentanoate
CID 64720266
methyl (2R)-2-amino-2-methylhexanoate
CID 155453684
2-amino-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanoic acid
CID 64711201
methyl 2-amino-2-methyl-3-(3-methylbutan-2-ylsulfanyl)propanoate
CID 107755651
methyl (2R)-2-amino-2-methyl-3-methylsulfanylpropanoate
CID 45086744
methyl 2,2-dimethyl-3-propylsulfonylpropanoate
CID 79629974

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-methyl-4-[propan-2-yl(propyl)amino]pentanoate?
The IUPAC name of methyl 2-amino-2-methyl-4-[propan-2-yl(propyl)amino]pentanoate (CID 64725651) is methyl 2-amino-2-methyl-4-[propan-2-yl(propyl)amino]pentanoate.
What is the SMILES notation for methyl 2-amino-2-methyl-4-[propan-2-yl(propyl)amino]pentanoate?
The canonical SMILES for methyl 2-amino-2-methyl-4-[propan-2-yl(propyl)amino]pentanoate is CCCN(C(C)C)C(C)CC(C)(N)C(=O)OC.
What is the InChIKey of methyl 2-amino-2-methyl-4-[propan-2-yl(propyl)amino]pentanoate?
The InChIKey is TWJKWORHSLTZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-7-8-15(10(2)3)11(4)9-13(5,14)12(16)17-6/h10-11H,7-9,14H2,1-6H3.
What are the key properties of methyl 2-amino-2-methyl-4-[propan-2-yl(propyl)amino]pentanoate?
methyl 2-amino-2-methyl-4-[propan-2-yl(propyl)amino]pentanoate has a molecular weight of 244.38 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-2-methyl-4-[propan-2-yl(propyl)amino]pentanoate is sourced from PubChem (CID 64725651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).