methyl (2S)-2-[acetyl(methyl)amino]-4-methylpentanoate

C10H19NO3 — CID 131852765

IUPACmethyl (2S)-2-[acetyl(methyl)amino]-4-methylpentanoate
SMILESCOC(=O)[C@H](CC(C)C)N(C)C(C)=O
InChIInChI=1S/C10H19NO3/c1-7(2)6-9(10(13)14-5)11(4)8(3)12/h7,9H,6H2,1-5H3/t9-/m0/s1
InChIKeyHZKYZNRPHQACLR-VIFPVBQESA-N
MW201.27 g/mol
LogP1.05
Rot. Bonds4

About methyl (2S)-2-[acetyl(methyl)amino]-4-methylpentanoate

methyl (2S)-2-[acetyl(methyl)amino]-4-methylpentanoate (PubChem CID 131852765) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl (2S)-2-[acetyl(methyl)amino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[acetyl(methyl)amino]-4-methylpentanoate
PubChem CID131852765
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl (2S)-2-[acetyl(methyl)amino]-4-methylpentanoate
SMILESCOC(=O)[C@H](CC(C)C)N(C)C(C)=O
InChIInChI=1S/C10H19NO3/c1-7(2)6-9(10(13)14-5)11(4)8(3)12/h7,9H,6H2,1-5H3/t9-/m0/s1
InChIKeyHZKYZNRPHQACLR-VIFPVBQESA-N
XLogP1.05
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-[acetyl(hydroxy)amino]-4-methylpentanoate
CID 10845818
methyl (2S)-2-[acetyl-(2-amino-2-sulfanylideneethyl)amino]-4-methylpentanoate
CID 25197704
methyl (2S)-2-[acetyl(cyanomethyl)amino]-4-methylpentanoate
CID 25197703
methyl 2-[acetyl(methyl)amino]hexanoate
CID 23279435
N-methyl-N-(3-methyl-1-sulfanylbutyl)acetamide
CID 129049376
2-[methoxycarbonyl(methyl)amino]-4-methylpentanoic acid
CID 10608215
methyl (2S)-4-methyl-2-[methyl(oxane-3-carbonyl)amino]pentanoate
CID 167817612
methyl (2R)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)-methylamino]-4-methylpentanoate
CID 90914408
(2S)-2-[acetyl(methyl)amino]-4-methyl-N-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]pentanamide
CID 173330890
methyl (2S)-4-methyl-2-[methyl(2H-pyrimidin-1-ylmethoxycarbonyl)amino]pentanoate
CID 142635094
methyl (2S)-2-(dibenzylamino)-4-methylpentanoate
CID 54055592
2,2-dimethylpropyl 2-[2,2-dimethylpropoxycarbonyl(methyl)amino]-4-methylpentanoate
CID 91734791

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[acetyl(methyl)amino]-4-methylpentanoate?
The IUPAC name of methyl (2S)-2-[acetyl(methyl)amino]-4-methylpentanoate (CID 131852765) is methyl (2S)-2-[acetyl(methyl)amino]-4-methylpentanoate.
What is the SMILES notation for methyl (2S)-2-[acetyl(methyl)amino]-4-methylpentanoate?
The canonical SMILES for methyl (2S)-2-[acetyl(methyl)amino]-4-methylpentanoate is COC(=O)[C@H](CC(C)C)N(C)C(C)=O.
What is the InChIKey of methyl (2S)-2-[acetyl(methyl)amino]-4-methylpentanoate?
The InChIKey is HZKYZNRPHQACLR-VIFPVBQESA-N. The full InChI is InChI=1S/C10H19NO3/c1-7(2)6-9(10(13)14-5)11(4)8(3)12/h7,9H,6H2,1-5H3/t9-/m0/s1.
What are the key properties of methyl (2S)-2-[acetyl(methyl)amino]-4-methylpentanoate?
methyl (2S)-2-[acetyl(methyl)amino]-4-methylpentanoate has a molecular weight of 201.27 g/mol, XLogP of 1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[acetyl(methyl)amino]-4-methylpentanoate is sourced from PubChem (CID 131852765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).