methyl 2-amino-2-methyl-5-[methyl-[(2-methylcyclopropyl)methyl]amino]pentanoate

C13H26N2O2 — CID 63865741

IUPACmethyl 2-amino-2-methyl-5-[methyl-[(2-methylcyclopropyl)methyl]amino]pentanoate
SMILESCOC(=O)C(C)(N)CCCN(C)CC1CC1C
InChIInChI=1S/C13H26N2O2/c1-10-8-11(10)9-15(3)7-5-6-13(2,14)12(16)17-4/h10-11H,5-9,14H2,1-4H3
InChIKeyVJVUAABXGSCZEC-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.24
Rot. Bonds7

About methyl 2-amino-2-methyl-5-[methyl-[(2-methylcyclopropyl)methyl]amino]pentanoate

methyl 2-amino-2-methyl-5-[methyl-[(2-methylcyclopropyl)methyl]amino]pentanoate (PubChem CID 63865741) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is methyl 2-amino-2-methyl-5-[methyl-[(2-methylcyclopropyl)methyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl 2-amino-2-methyl-5-[methyl-[(2-methylcyclopropyl)methyl]amino]pentanoate
PubChem CID63865741
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Namemethyl 2-amino-2-methyl-5-[methyl-[(2-methylcyclopropyl)methyl]amino]pentanoate
SMILESCOC(=O)C(C)(N)CCCN(C)CC1CC1C
InChIInChI=1S/C13H26N2O2/c1-10-8-11(10)9-15(3)7-5-6-13(2,14)12(16)17-4/h10-11H,5-9,14H2,1-4H3
InChIKeyVJVUAABXGSCZEC-UHFFFAOYSA-N
XLogP1.24
TPSA55.56 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 ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-methyl-5-[methyl-[(2-methylcyclopropyl)methyl]amino]pentanoate?
The IUPAC name of methyl 2-amino-2-methyl-5-[methyl-[(2-methylcyclopropyl)methyl]amino]pentanoate (CID 63865741) is methyl 2-amino-2-methyl-5-[methyl-[(2-methylcyclopropyl)methyl]amino]pentanoate.
What is the SMILES notation for methyl 2-amino-2-methyl-5-[methyl-[(2-methylcyclopropyl)methyl]amino]pentanoate?
The canonical SMILES for methyl 2-amino-2-methyl-5-[methyl-[(2-methylcyclopropyl)methyl]amino]pentanoate is COC(=O)C(C)(N)CCCN(C)CC1CC1C.
What is the InChIKey of methyl 2-amino-2-methyl-5-[methyl-[(2-methylcyclopropyl)methyl]amino]pentanoate?
The InChIKey is VJVUAABXGSCZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10-8-11(10)9-15(3)7-5-6-13(2,14)12(16)17-4/h10-11H,5-9,14H2,1-4H3.
What are the key properties of methyl 2-amino-2-methyl-5-[methyl-[(2-methylcyclopropyl)methyl]amino]pentanoate?
methyl 2-amino-2-methyl-5-[methyl-[(2-methylcyclopropyl)methyl]amino]pentanoate has a molecular weight of 242.36 g/mol, XLogP of 1.24, 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-5-[methyl-[(2-methylcyclopropyl)methyl]amino]pentanoate is sourced from PubChem (CID 63865741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).