methyl 2-(2,4-dimethylpentan-3-ylamino)-4-methylpentanoate

C14H29NO2 — CID 112743189

IUPACmethyl 2-(2,4-dimethylpentan-3-ylamino)-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NC(C(C)C)C(C)C
InChIInChI=1S/C14H29NO2/c1-9(2)8-12(14(16)17-7)15-13(10(3)4)11(5)6/h9-13,15H,8H2,1-7H3
InChIKeyAUNVNRMLZBXXNV-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.84
Rot. Bonds7

About methyl 2-(2,4-dimethylpentan-3-ylamino)-4-methylpentanoate

methyl 2-(2,4-dimethylpentan-3-ylamino)-4-methylpentanoate (PubChem CID 112743189) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is methyl 2-(2,4-dimethylpentan-3-ylamino)-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-(2,4-dimethylpentan-3-ylamino)-4-methylpentanoate
PubChem CID112743189
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Namemethyl 2-(2,4-dimethylpentan-3-ylamino)-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NC(C(C)C)C(C)C
InChIInChI=1S/C14H29NO2/c1-9(2)8-12(14(16)17-7)15-13(10(3)4)11(5)6/h9-13,15H,8H2,1-7H3
InChIKeyAUNVNRMLZBXXNV-UHFFFAOYSA-N
XLogP2.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Leucyl-leucine-methyl ester
CID 7016877
N-(tert-Butoxycarbonyl)-L-leucine methyl ester
CID 10879384
Methyl N-acetyl-L-leucinate
CID 6950952
methyl (2S)-2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]-4-methylpentanoate
CID 103954779
Methyl (2S)-2-(2-aminoacetamido)-4-methylpentanoate
CID 13751931
Methyl N-(trifluoroacetyl)-L-leucinate
CID 14389998
Methyl 4-methylpiperidine-2-carboxylate
CID 15511834
Leucine-proline anhydride
CID 57275499
Ethyl 2-acetamido-4-methylpentanoate
CID 322674
Methyl 5-methylpiperidine-2-carboxylate
CID 68090723
Methyl 3-methyl-2-(methylamino)butanoate hydrochloride
CID 73187978
Methyl 4-methyl-2-(methylamino)pentanoate hydrochloride
CID 85609281

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,4-dimethylpentan-3-ylamino)-4-methylpentanoate?
The IUPAC name of methyl 2-(2,4-dimethylpentan-3-ylamino)-4-methylpentanoate (CID 112743189) is methyl 2-(2,4-dimethylpentan-3-ylamino)-4-methylpentanoate.
What is the SMILES notation for methyl 2-(2,4-dimethylpentan-3-ylamino)-4-methylpentanoate?
The canonical SMILES for methyl 2-(2,4-dimethylpentan-3-ylamino)-4-methylpentanoate is COC(=O)C(CC(C)C)NC(C(C)C)C(C)C.
What is the InChIKey of methyl 2-(2,4-dimethylpentan-3-ylamino)-4-methylpentanoate?
The InChIKey is AUNVNRMLZBXXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-9(2)8-12(14(16)17-7)15-13(10(3)4)11(5)6/h9-13,15H,8H2,1-7H3.
What are the key properties of methyl 2-(2,4-dimethylpentan-3-ylamino)-4-methylpentanoate?
methyl 2-(2,4-dimethylpentan-3-ylamino)-4-methylpentanoate has a molecular weight of 243.39 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,4-dimethylpentan-3-ylamino)-4-methylpentanoate is sourced from PubChem (CID 112743189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).