methyl 2-[methyl-[3-(methylamino)propyl]amino]-2-oxoacetate

C8H16N2O3 — CID 112617466

IUPACmethyl 2-[methyl-[3-(methylamino)propyl]amino]-2-oxoacetate
SMILESCNCCCN(C)C(=O)C(=O)OC
InChIInChI=1S/C8H16N2O3/c1-9-5-4-6-10(2)7(11)8(12)13-3/h9H,4-6H2,1-3H3
InChIKeyYLTDBOXMBNCONY-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.77
Rot. Bonds4

About methyl 2-[methyl-[3-(methylamino)propyl]amino]-2-oxoacetate

methyl 2-[methyl-[3-(methylamino)propyl]amino]-2-oxoacetate (PubChem CID 112617466) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is methyl 2-[methyl-[3-(methylamino)propyl]amino]-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-[methyl-[3-(methylamino)propyl]amino]-2-oxoacetate
PubChem CID112617466
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Namemethyl 2-[methyl-[3-(methylamino)propyl]amino]-2-oxoacetate
SMILESCNCCCN(C)C(=O)C(=O)OC
InChIInChI=1S/C8H16N2O3/c1-9-5-4-6-10(2)7(11)8(12)13-3/h9H,4-6H2,1-3H3
InChIKeyYLTDBOXMBNCONY-UHFFFAOYSA-N
XLogP-0.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl-[3-(methylamino)propyl]carbamic acid
CID 18404327
N-methyl-N-[3-(methylamino)propyl]acetamide
CID 23084468
methyl 2-[methyl(2-methylsulfonylethyl)amino]-2-oxoacetate
CID 112617435
2,2-difluoro-N-methyl-N-[3-(methylamino)propyl]acetamide
CID 103514245
methanol;N,N',N'-trimethylpropane-1,3-diamine
CID 172587497
2-[2-[methyl-[3-(methylamino)propyl]amino]-2-oxoethyl]sulfanylacetic acid
CID 104570155
5-methoxy-2-[[methyl-[3-(methylamino)propyl]carbamoyl]amino]pentanoic acid
CID 81081490
methyl N-(3-hydroxypropyl)-N-methylcarbamate
CID 119098587
N-methyl-N-[3-(methylamino)propyl]propanimidamide
CID 87549397
methyl N-(3-acetamidopropyl)-N-methylcarbamate
CID 89255429
4-methyl-2-[methyl-[3-(methylamino)propyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 114391195
(2S,3R)-3-hydroxy-2-[[methyl-[3-(methylamino)propyl]carbamoyl]amino]butanoic acid
CID 104966438

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[3-(methylamino)propyl]amino]-2-oxoacetate?
The IUPAC name of methyl 2-[methyl-[3-(methylamino)propyl]amino]-2-oxoacetate (CID 112617466) is methyl 2-[methyl-[3-(methylamino)propyl]amino]-2-oxoacetate.
What is the SMILES notation for methyl 2-[methyl-[3-(methylamino)propyl]amino]-2-oxoacetate?
The canonical SMILES for methyl 2-[methyl-[3-(methylamino)propyl]amino]-2-oxoacetate is CNCCCN(C)C(=O)C(=O)OC.
What is the InChIKey of methyl 2-[methyl-[3-(methylamino)propyl]amino]-2-oxoacetate?
The InChIKey is YLTDBOXMBNCONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-9-5-4-6-10(2)7(11)8(12)13-3/h9H,4-6H2,1-3H3.
What are the key properties of methyl 2-[methyl-[3-(methylamino)propyl]amino]-2-oxoacetate?
methyl 2-[methyl-[3-(methylamino)propyl]amino]-2-oxoacetate has a molecular weight of 188.23 g/mol, XLogP of -0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[3-(methylamino)propyl]amino]-2-oxoacetate is sourced from PubChem (CID 112617466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).