methyl 2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-2-methylpropanoate

C12H24N2O3 — CID 115431856

IUPACmethyl 2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-2-methylpropanoate
SMILESCCC(CC)(CN)C(=O)NC(C)(C)C(=O)OC
InChIInChI=1S/C12H24N2O3/c1-6-12(7-2,8-13)9(15)14-11(3,4)10(16)17-5/h6-8,13H2,1-5H3,(H,14,15)
InChIKeyVANKSISGGJBPKJ-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.82
Rot. Bonds6

About methyl 2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-2-methylpropanoate

methyl 2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-2-methylpropanoate (PubChem CID 115431856) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is methyl 2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-2-methylpropanoate
PubChem CID115431856
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Namemethyl 2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-2-methylpropanoate
SMILESCCC(CC)(CN)C(=O)NC(C)(C)C(=O)OC
InChIInChI=1S/C12H24N2O3/c1-6-12(7-2,8-13)9(15)14-11(3,4)10(16)17-5/h6-8,13H2,1-5H3,(H,14,15)
InChIKeyVANKSISGGJBPKJ-UHFFFAOYSA-N
XLogP0.82
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-2-methylpropanoate
CID 65264360
2-(aminomethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-ethylbutanamide
CID 106096112
2-(aminomethyl)-2-ethyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]butanamide
CID 107865773
2-(aminomethyl)-N-(cyanomethyl)-2-ethylbutanamide
CID 115432428
methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-2-methylpropanoate
CID 60851549
methyl 2-(aminomethyl)-2-(cyclopropylmethyl)butanoate
CID 106489911
methyl 5-amino-2,2-diethylpentanoate
CID 18784900
methyl 2-amino-2-fluorobutanoate;hydrochloride
CID 142778169
2-(aminomethyl)-2-ethyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide
CID 112703692
dimethyl 2-(aminomethyl)-2-methylpropanedioate;hydrochloride
CID 146155521
2-(aminomethyl)-2-ethyl-N-(2-hydroxy-2-methylpentyl)butanamide
CID 114169342
methyl 2-[(4-amino-2-methylbutanoyl)amino]-2-methylpropanoate
CID 80543490

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-2-methylpropanoate (CID 115431856) is methyl 2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-2-methylpropanoate is CCC(CC)(CN)C(=O)NC(C)(C)C(=O)OC.
What is the InChIKey of methyl 2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-2-methylpropanoate?
The InChIKey is VANKSISGGJBPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-6-12(7-2,8-13)9(15)14-11(3,4)10(16)17-5/h6-8,13H2,1-5H3,(H,14,15).
What are the key properties of methyl 2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-2-methylpropanoate?
methyl 2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-2-methylpropanoate has a molecular weight of 244.33 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-2-methylpropanoate is sourced from PubChem (CID 115431856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).