methyl 2-methyl-3-[methyl-[4-(methylamino)butanoyl]amino]propanoate

C11H22N2O3 — CID 60964013

IUPACmethyl 2-methyl-3-[methyl-[4-(methylamino)butanoyl]amino]propanoate
SMILESCNCCCC(=O)N(C)CC(C)C(=O)OC
InChIInChI=1S/C11H22N2O3/c1-9(11(15)16-4)8-13(3)10(14)6-5-7-12-2/h9,12H,5-8H2,1-4H3
InChIKeyNTEMYVIPCVCGDD-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.25
Rot. Bonds7

About methyl 2-methyl-3-[methyl-[4-(methylamino)butanoyl]amino]propanoate

methyl 2-methyl-3-[methyl-[4-(methylamino)butanoyl]amino]propanoate (PubChem CID 60964013) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is methyl 2-methyl-3-[methyl-[4-(methylamino)butanoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[methyl-[4-(methylamino)butanoyl]amino]propanoate
PubChem CID60964013
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Namemethyl 2-methyl-3-[methyl-[4-(methylamino)butanoyl]amino]propanoate
SMILESCNCCCC(=O)N(C)CC(C)C(=O)OC
InChIInChI=1S/C11H22N2O3/c1-9(11(15)16-4)8-13(3)10(14)6-5-7-12-2/h9,12H,5-8H2,1-4H3
InChIKeyNTEMYVIPCVCGDD-UHFFFAOYSA-N
XLogP0.25
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[4-(3-methylbutylamino)-4-oxobutyl]carbamate
CID 155567506
beta-Alanine, N-isobutyryl-, ethyl ester
CID 22954027
methyl 3-(N-methyl-3-(methylamino)propanamido)propanoate hydrochloride
CID 155820097
Methyl 3-[3-(dimethylamino)propanamido]propanoate
CID 165887053
beta-Alanine, N-isobutyryl-, propyl ester
CID 91691842
beta-Alanine, N-(3-methylbutyryl)-, methyl ester
CID 546227
Methyl 2-[(butanoylamino)methyl]-3-methylbutanoate
CID 134856988
Methyl 3-[4-aminobutanoyl(2,2,2-trifluoroethyl)amino]propanoate
CID 54872063
Methyl 3-[4-(methylamino)butanoyl-(2,2,2-trifluoroethyl)amino]propanoate
CID 54872087
Methyl 3-[4-(propan-2-ylamino)butanoyl-(2,2,2-trifluoroethyl)amino]propanoate
CID 60946501
Methyl 3-[[3-(ethylamino)-2-methylpropanoyl]-(2,2,2-trifluoroethyl)amino]propanoate
CID 62853819
Methyl 3-[[2-(azetidin-3-yl)acetyl]-(2,2,2-trifluoroethyl)amino]propanoate
CID 64609326

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[methyl-[4-(methylamino)butanoyl]amino]propanoate?
The IUPAC name of methyl 2-methyl-3-[methyl-[4-(methylamino)butanoyl]amino]propanoate (CID 60964013) is methyl 2-methyl-3-[methyl-[4-(methylamino)butanoyl]amino]propanoate.
What is the SMILES notation for methyl 2-methyl-3-[methyl-[4-(methylamino)butanoyl]amino]propanoate?
The canonical SMILES for methyl 2-methyl-3-[methyl-[4-(methylamino)butanoyl]amino]propanoate is CNCCCC(=O)N(C)CC(C)C(=O)OC.
What is the InChIKey of methyl 2-methyl-3-[methyl-[4-(methylamino)butanoyl]amino]propanoate?
The InChIKey is NTEMYVIPCVCGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-9(11(15)16-4)8-13(3)10(14)6-5-7-12-2/h9,12H,5-8H2,1-4H3.
What are the key properties of methyl 2-methyl-3-[methyl-[4-(methylamino)butanoyl]amino]propanoate?
methyl 2-methyl-3-[methyl-[4-(methylamino)butanoyl]amino]propanoate has a molecular weight of 230.31 g/mol, XLogP of 0.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[methyl-[4-(methylamino)butanoyl]amino]propanoate is sourced from PubChem (CID 60964013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).