methyl 4-methyl-2-(propan-2-ylamino)pentanoate

C10H21NO2 — CID 43230583

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

About methyl 4-methyl-2-(propan-2-ylamino)pentanoate

methyl 4-methyl-2-(propan-2-ylamino)pentanoate (PubChem CID 43230583) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is methyl 4-methyl-2-(propan-2-ylamino)pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-(propan-2-ylamino)pentanoate
PubChem CID43230583
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Namemethyl 4-methyl-2-(propan-2-ylamino)pentanoate
SMILESCOC(=O)C(CC(C)C)NC(C)C
InChIInChI=1S/C10H21NO2/c1-7(2)6-9(10(12)13-5)11-8(3)4/h7-9,11H,6H2,1-5H3
InChIKeyXERPOKRWFKEVAA-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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Related Compounds

methyl 2-[(3-amino-1-methoxy-1-oxopropan-2-yl)amino]-4-methylpentanoate
CID 23573227
methyl 2-(2,4-dimethylpentan-3-ylamino)-4-methylpentanoate
CID 112743189
methyl 2-(1,1-difluoropropan-2-ylamino)-4-methylpentanoate
CID 102868458
methyl 2-[(3-hydroxy-3-methylbutan-2-yl)amino]-4-methylpentanoate
CID 65338075
methyl 2-[(1-amino-1-oxobutan-2-yl)amino]-4-methylpentanoate
CID 62901379
methyl (2R)-2-(chloroamino)-4-methylpentanoate
CID 59125779
methyl (2S)-4-methyl-2-(methylamino)pentanoate;hydrochloride
CID 75487996
methyl 4-amino-2-(propan-2-ylamino)butanoate
CID 105435859
methyl 4-hydroxy-2-(propan-2-ylamino)butanoate
CID 105436141
methyl (2S)-2-(methoxycarbonylamino)-4-methylpentanoate
CID 14036587
methyl (2R)-4-methyl-2-(2-methylhydrazinyl)pentanoate
CID 166823747
methyl 2-[(2-amino-4-methylpentanoyl)amino]-4-methylpentanoate
CID 5159380

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-(propan-2-ylamino)pentanoate?
The IUPAC name of methyl 4-methyl-2-(propan-2-ylamino)pentanoate (CID 43230583) is methyl 4-methyl-2-(propan-2-ylamino)pentanoate.
What is the SMILES notation for methyl 4-methyl-2-(propan-2-ylamino)pentanoate?
The canonical SMILES for methyl 4-methyl-2-(propan-2-ylamino)pentanoate is COC(=O)C(CC(C)C)NC(C)C.
What is the InChIKey of methyl 4-methyl-2-(propan-2-ylamino)pentanoate?
The InChIKey is XERPOKRWFKEVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-7(2)6-9(10(12)13-5)11-8(3)4/h7-9,11H,6H2,1-5H3.
What are the key properties of methyl 4-methyl-2-(propan-2-ylamino)pentanoate?
methyl 4-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 4-methyl-2-(propan-2-ylamino)pentanoate is sourced from PubChem (CID 43230583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).