4-methylpentan-2-yl 2-amino-4-methylpentanoate

C12H25NO2 — CID 61277406

IUPAC4-methylpentan-2-yl 2-amino-4-methylpentanoate
SMILESCC(C)CC(C)OC(=O)C(N)CC(C)C
InChIInChI=1S/C12H25NO2/c1-8(2)6-10(5)15-12(14)11(13)7-9(3)4/h8-11H,6-7,13H2,1-5H3
InChIKeyRPCJRSKARGSOAH-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.34
Rot. Bonds6

About 4-methylpentan-2-yl 2-amino-4-methylpentanoate

4-methylpentan-2-yl 2-amino-4-methylpentanoate (PubChem CID 61277406) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 4-methylpentan-2-yl 2-amino-4-methylpentanoate.

Molecular Properties

Compound Name4-methylpentan-2-yl 2-amino-4-methylpentanoate
PubChem CID61277406
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name4-methylpentan-2-yl 2-amino-4-methylpentanoate
SMILESCC(C)CC(C)OC(=O)C(N)CC(C)C
InChIInChI=1S/C12H25NO2/c1-8(2)6-10(5)15-12(14)11(13)7-9(3)4/h8-11H,6-7,13H2,1-5H3
InChIKeyRPCJRSKARGSOAH-UHFFFAOYSA-N
XLogP2.34
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-[(2S)-2-amino-4-methylpentanoyl]oxybutyl] (2S)-2-amino-4-methylpentanoate
CID 139407331
CID 164753988
CID 164753988
1-acetyloxyethyl 2-amino-4-methylpentanoate
CID 87922143
4-methylpentan-2-yl (2S)-2-amino-3-phenylpropanoate
CID 61279025
ethyl (2S)-2-amino-4-methylpentanoate;hydrochloride
CID 11658447
[(2S)-2-amino-4-methylpentanoyl]oxysulfanyl (2S)-2-amino-4-methylpentanoate
CID 90745956
4-methylpentan-2-yl 2,4,4-trimethylpentanoate
CID 123586780
(4S,7S)-4,7-diamino-2,9-dimethyldecane-5,6-dione
CID 57076326
(2-amino-2-oxoethyl) (2S)-2-amino-4-methylpentanoate
CID 159439420
(2S)-2-(15N)azanyl-4-methyl(213C)pentanoic acid
CID 71309151
1-phenylethyl 2-amino-4-methylpentanoate
CID 61277659
2-amino-4-methyl-N-(1-methylsulfanylpropan-2-yl)pentanamide
CID 115740467

Frequently Asked Questions

What is the IUPAC name of 4-methylpentan-2-yl 2-amino-4-methylpentanoate?
The IUPAC name of 4-methylpentan-2-yl 2-amino-4-methylpentanoate (CID 61277406) is 4-methylpentan-2-yl 2-amino-4-methylpentanoate.
What is the SMILES notation for 4-methylpentan-2-yl 2-amino-4-methylpentanoate?
The canonical SMILES for 4-methylpentan-2-yl 2-amino-4-methylpentanoate is CC(C)CC(C)OC(=O)C(N)CC(C)C.
What is the InChIKey of 4-methylpentan-2-yl 2-amino-4-methylpentanoate?
The InChIKey is RPCJRSKARGSOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-8(2)6-10(5)15-12(14)11(13)7-9(3)4/h8-11H,6-7,13H2,1-5H3.
What are the key properties of 4-methylpentan-2-yl 2-amino-4-methylpentanoate?
4-methylpentan-2-yl 2-amino-4-methylpentanoate has a molecular weight of 215.34 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpentan-2-yl 2-amino-4-methylpentanoate is sourced from PubChem (CID 61277406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).