methyl 3-methyl-2-(propan-2-ylamino)pentanoate

C10H21NO2 — CID 43230582

IUPACmethyl 3-methyl-2-(propan-2-ylamino)pentanoate
SMILESCCC(C)C(NC(C)C)C(=O)OC
InChIInChI=1S/C10H21NO2/c1-6-8(4)9(10(12)13-5)11-7(2)3/h7-9,11H,6H2,1-5H3
InChIKeyWPRQSKFLHOHTRM-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.57
Rot. Bonds5

About methyl 3-methyl-2-(propan-2-ylamino)pentanoate

methyl 3-methyl-2-(propan-2-ylamino)pentanoate (PubChem CID 43230582) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is methyl 3-methyl-2-(propan-2-ylamino)pentanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-(propan-2-ylamino)pentanoate
PubChem CID43230582
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Namemethyl 3-methyl-2-(propan-2-ylamino)pentanoate
SMILESCCC(C)C(NC(C)C)C(=O)OC
InChIInChI=1S/C10H21NO2/c1-6-8(4)9(10(12)13-5)11-7(2)3/h7-9,11H,6H2,1-5H3
InChIKeyWPRQSKFLHOHTRM-UHFFFAOYSA-N
XLogP1.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-(propan-2-ylamino)pentanoate?
The IUPAC name of methyl 3-methyl-2-(propan-2-ylamino)pentanoate (CID 43230582) is methyl 3-methyl-2-(propan-2-ylamino)pentanoate.
What is the SMILES notation for methyl 3-methyl-2-(propan-2-ylamino)pentanoate?
The canonical SMILES for methyl 3-methyl-2-(propan-2-ylamino)pentanoate is CCC(C)C(NC(C)C)C(=O)OC.
What is the InChIKey of methyl 3-methyl-2-(propan-2-ylamino)pentanoate?
The InChIKey is WPRQSKFLHOHTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-6-8(4)9(10(12)13-5)11-7(2)3/h7-9,11H,6H2,1-5H3.
What are the key properties of methyl 3-methyl-2-(propan-2-ylamino)pentanoate?
methyl 3-methyl-2-(propan-2-ylamino)pentanoate has a molecular weight of 187.28 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-(propan-2-ylamino)pentanoate is sourced from PubChem (CID 43230582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).