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

C12H24N2O3 — CID 63892059

IUPACmethyl 4-methyl-2-[[4-(methylamino)-4-oxobutyl]amino]pentanoate
SMILESCNC(=O)CCCNC(CC(C)C)C(=O)OC
InChIInChI=1S/C12H24N2O3/c1-9(2)8-10(12(16)17-4)14-7-5-6-11(15)13-3/h9-10,14H,5-8H2,1-4H3,(H,13,15)
InChIKeyJDDQONOUVQXXCM-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.69
Rot. Bonds8

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

methyl 4-methyl-2-[[4-(methylamino)-4-oxobutyl]amino]pentanoate (PubChem CID 63892059) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is methyl 4-methyl-2-[[4-(methylamino)-4-oxobutyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[[4-(methylamino)-4-oxobutyl]amino]pentanoate
PubChem CID63892059
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Namemethyl 4-methyl-2-[[4-(methylamino)-4-oxobutyl]amino]pentanoate
SMILESCNC(=O)CCCNC(CC(C)C)C(=O)OC
InChIInChI=1S/C12H24N2O3/c1-9(2)8-10(12(16)17-4)14-7-5-6-11(15)13-3/h9-10,14H,5-8H2,1-4H3,(H,13,15)
InChIKeyJDDQONOUVQXXCM-UHFFFAOYSA-N
XLogP0.69
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-4-methyl-2-[4-(methylamino)butanoylamino]pentanoate
CID 113358137
3-[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]propane-1-sulfonic acid
CID 58931864
N-methyl-4-(propan-2-ylamino)butanamide
CID 21054795
ethyl 2-[[4-(methylamino)-4-oxobutyl]amino]propanoate
CID 63890128
methyl (2S)-4-methyl-2-(methylamino)pentanoate;hydrochloride
CID 75487996
methyl 2-[(3-methoxy-3-methylbutyl)amino]-4-methylpentanoate
CID 103033254
methyl (2S)-4-methyl-2-(4-oxopentanoylamino)pentanoate
CID 11973839
methyl 4-methyl-2-(tridecanoylamino)pentanoate
CID 19368983
methyl (2R)-4-methyl-2-(2-methylhydrazinyl)pentanoate
CID 166823747
methyl (2S)-2-[(2-chloroacetyl)amino]-4-methylpentanoate
CID 14260838
4-(3,3-dimethylbutan-2-ylamino)-N-methylbutanamide
CID 115714185
methyl 2-[3-(4-chlorophenoxy)propylamino]-4-methylpentanoate
CID 60694605

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[[4-(methylamino)-4-oxobutyl]amino]pentanoate?
The IUPAC name of methyl 4-methyl-2-[[4-(methylamino)-4-oxobutyl]amino]pentanoate (CID 63892059) is methyl 4-methyl-2-[[4-(methylamino)-4-oxobutyl]amino]pentanoate.
What is the SMILES notation for methyl 4-methyl-2-[[4-(methylamino)-4-oxobutyl]amino]pentanoate?
The canonical SMILES for methyl 4-methyl-2-[[4-(methylamino)-4-oxobutyl]amino]pentanoate is CNC(=O)CCCNC(CC(C)C)C(=O)OC.
What is the InChIKey of methyl 4-methyl-2-[[4-(methylamino)-4-oxobutyl]amino]pentanoate?
The InChIKey is JDDQONOUVQXXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-9(2)8-10(12(16)17-4)14-7-5-6-11(15)13-3/h9-10,14H,5-8H2,1-4H3,(H,13,15).
What are the key properties of methyl 4-methyl-2-[[4-(methylamino)-4-oxobutyl]amino]pentanoate?
methyl 4-methyl-2-[[4-(methylamino)-4-oxobutyl]amino]pentanoate has a molecular weight of 244.33 g/mol, XLogP of 0.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[[4-(methylamino)-4-oxobutyl]amino]pentanoate is sourced from PubChem (CID 63892059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).