methyl 3-[[methyl(3-methylidenepentyl)carbamoyl]amino]propanoate

C12H22N2O3 — CID 166798073

IUPACmethyl 3-[[methyl(3-methylidenepentyl)carbamoyl]amino]propanoate
SMILESC=C(CC)CCN(C)C(=O)NCCC(=O)OC
InChIInChI=1S/C12H22N2O3/c1-5-10(2)7-9-14(3)12(16)13-8-6-11(15)17-4/h2,5-9H2,1,3-4H3,(H,13,16)
InChIKeyOQUQEIQAVUSVKF-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.55
Rot. Bonds7

About methyl 3-[[methyl(3-methylidenepentyl)carbamoyl]amino]propanoate

methyl 3-[[methyl(3-methylidenepentyl)carbamoyl]amino]propanoate (PubChem CID 166798073) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is methyl 3-[[methyl(3-methylidenepentyl)carbamoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[methyl(3-methylidenepentyl)carbamoyl]amino]propanoate
PubChem CID166798073
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Namemethyl 3-[[methyl(3-methylidenepentyl)carbamoyl]amino]propanoate
SMILESC=C(CC)CCN(C)C(=O)NCCC(=O)OC
InChIInChI=1S/C12H22N2O3/c1-5-10(2)7-9-14(3)12(16)13-8-6-11(15)17-4/h2,5-9H2,1,3-4H3,(H,13,16)
InChIKeyOQUQEIQAVUSVKF-UHFFFAOYSA-N
XLogP1.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[butylcarbamoyl(methyl)amino]butanoate
CID 60970627
methyl 4-[ethylcarbamoyl(methyl)amino]butanoate
CID 60970924
methyl 3-(2-methylidenebutylamino)propanoate
CID 66045929
2-[2-[[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]ethoxy]acetic acid
CID 79464132
3-[[methyl(propyl)carbamoyl]amino]propanoic acid
CID 61195850
2-hydroxy-3-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]propanoic acid
CID 66167834
3-[[3-methoxypropyl(methyl)carbamoyl]amino]propanoic acid
CID 62997589
3-[methyl(octylcarbamoyl)amino]propanoic acid
CID 115569264
2-[2-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373755
3-[(4-ethyl-3-methoxyhexyl)carbamoyl-methylamino]propanoic acid
CID 122007399
methyl 3-(carboniodidoylamino)propanoate
CID 129042204
methyl 3-(acetyloxycarbonylamino)propanoate
CID 174888449

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[methyl(3-methylidenepentyl)carbamoyl]amino]propanoate?
The IUPAC name of methyl 3-[[methyl(3-methylidenepentyl)carbamoyl]amino]propanoate (CID 166798073) is methyl 3-[[methyl(3-methylidenepentyl)carbamoyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[methyl(3-methylidenepentyl)carbamoyl]amino]propanoate?
The canonical SMILES for methyl 3-[[methyl(3-methylidenepentyl)carbamoyl]amino]propanoate is C=C(CC)CCN(C)C(=O)NCCC(=O)OC.
What is the InChIKey of methyl 3-[[methyl(3-methylidenepentyl)carbamoyl]amino]propanoate?
The InChIKey is OQUQEIQAVUSVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-5-10(2)7-9-14(3)12(16)13-8-6-11(15)17-4/h2,5-9H2,1,3-4H3,(H,13,16).
What are the key properties of methyl 3-[[methyl(3-methylidenepentyl)carbamoyl]amino]propanoate?
methyl 3-[[methyl(3-methylidenepentyl)carbamoyl]amino]propanoate has a molecular weight of 242.32 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[methyl(3-methylidenepentyl)carbamoyl]amino]propanoate is sourced from PubChem (CID 166798073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).