methyl 4-methyl-2-[[2-(methylamino)acetyl]amino]pentanoate

C10H20N2O3 — CID 43229599

IUPACmethyl 4-methyl-2-[[2-(methylamino)acetyl]amino]pentanoate
SMILESCNCC(=O)NC(CC(C)C)C(=O)OC
InChIInChI=1S/C10H20N2O3/c1-7(2)5-8(10(14)15-4)12-9(13)6-11-3/h7-8,11H,5-6H2,1-4H3,(H,12,13)
InChIKeyUQTMMDGMXNQZNF-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.09
Rot. Bonds6

About methyl 4-methyl-2-[[2-(methylamino)acetyl]amino]pentanoate

methyl 4-methyl-2-[[2-(methylamino)acetyl]amino]pentanoate (PubChem CID 43229599) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is methyl 4-methyl-2-[[2-(methylamino)acetyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[[2-(methylamino)acetyl]amino]pentanoate
PubChem CID43229599
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Namemethyl 4-methyl-2-[[2-(methylamino)acetyl]amino]pentanoate
SMILESCNCC(=O)NC(CC(C)C)C(=O)OC
InChIInChI=1S/C10H20N2O3/c1-7(2)5-8(10(14)15-4)12-9(13)6-11-3/h7-8,11H,5-6H2,1-4H3,(H,12,13)
InChIKeyUQTMMDGMXNQZNF-UHFFFAOYSA-N
XLogP-0.09
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-4-methyl-2-[4-(methylamino)butanoylamino]pentanoate
CID 113358137
methyl (2S)-2-[(2-chloroacetyl)amino]-4-methylpentanoate
CID 14260838
methyl (2S)-2-(3-aminopropanoylamino)-4-methylpentanoate
CID 103954799
methyl (2S)-4-methyl-2-(4-oxopentanoylamino)pentanoate
CID 11973839
methyl (2S)-2-(3,3-dimethylbutanoylamino)-4-methylpentanoate
CID 22872263
methyl 2-(3,3-dimethylbutanoylamino)-4-methylpentanoate
CID 19957218
methyl (2S)-2-(methoxycarbonylamino)-4-methylpentanoate
CID 14036587
methyl 2-[[2-(cyclopentylamino)acetyl]amino]-4-methylpentanoate
CID 60687231
methyl 2-[(4-amino-3-methylbutanoyl)amino]-4-methylpentanoate
CID 81076154
methyl 4-methyl-2-(3-methylpentanoylamino)pentanoate
CID 114875725
methyl (2S)-4-methyl-2-(methylamino)pentanoate;hydrochloride
CID 75487996
methyl 4-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoate
CID 112603567

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[[2-(methylamino)acetyl]amino]pentanoate?
The IUPAC name of methyl 4-methyl-2-[[2-(methylamino)acetyl]amino]pentanoate (CID 43229599) is methyl 4-methyl-2-[[2-(methylamino)acetyl]amino]pentanoate.
What is the SMILES notation for methyl 4-methyl-2-[[2-(methylamino)acetyl]amino]pentanoate?
The canonical SMILES for methyl 4-methyl-2-[[2-(methylamino)acetyl]amino]pentanoate is CNCC(=O)NC(CC(C)C)C(=O)OC.
What is the InChIKey of methyl 4-methyl-2-[[2-(methylamino)acetyl]amino]pentanoate?
The InChIKey is UQTMMDGMXNQZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-7(2)5-8(10(14)15-4)12-9(13)6-11-3/h7-8,11H,5-6H2,1-4H3,(H,12,13).
What are the key properties of methyl 4-methyl-2-[[2-(methylamino)acetyl]amino]pentanoate?
methyl 4-methyl-2-[[2-(methylamino)acetyl]amino]pentanoate has a molecular weight of 216.28 g/mol, XLogP of -0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[[2-(methylamino)acetyl]amino]pentanoate is sourced from PubChem (CID 43229599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).