methyl 2-(cyclobutanecarbonylamino)-3-methylbutanoate

C11H19NO3 — CID 551663

IUPACmethyl 2-(cyclobutanecarbonylamino)-3-methylbutanoate
SMILESCOC(=O)C(NC(=O)C1CCC1)C(C)C
InChIInChI=1S/C11H19NO3/c1-7(2)9(11(14)15-3)12-10(13)8-5-4-6-8/h7-9H,4-6H2,1-3H3,(H,12,13)
InChIKeyDUGWLCCFLOVJPV-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.10
Rot. Bonds4

About methyl 2-(cyclobutanecarbonylamino)-3-methylbutanoate

methyl 2-(cyclobutanecarbonylamino)-3-methylbutanoate (PubChem CID 551663) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl 2-(cyclobutanecarbonylamino)-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-(cyclobutanecarbonylamino)-3-methylbutanoate
PubChem CID551663
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl 2-(cyclobutanecarbonylamino)-3-methylbutanoate
SMILESCOC(=O)C(NC(=O)C1CCC1)C(C)C
InChIInChI=1S/C11H19NO3/c1-7(2)9(11(14)15-3)12-10(13)8-5-4-6-8/h7-9H,4-6H2,1-3H3,(H,12,13)
InChIKeyDUGWLCCFLOVJPV-UHFFFAOYSA-N
XLogP1.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Leucyl-leucine-methyl ester
CID 7016877
methyl N-acetylvalinate
CID 301593
Methyl N-acetyl-L-leucinate
CID 6950952
Methyl N-acetyl-L-valinate
CID 638154
2-[(2-Azaniumyl-3-methylpentanoyl)amino]-3-methylbutanoate
CID 5246011
N-acetyl-L-leucinate
CID 6928495
(2R)-2-acetamido-4-methylpentanoate
CID 7058610
2-(Acetylazaniumyl)-4-methylpentanoate
CID 5231552
methyl (2S)-2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]-4-methylpentanoate
CID 103954779
4-methyl-N-[(3S)-2-oxooxolan-3-yl]pentanamide
CID 100954884
N-Acetylnorvaline methyl ester
CID 150916
methyl 2-[(2S)-2-amino-4-methylpentanamido]acetate
CID 10943550

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclobutanecarbonylamino)-3-methylbutanoate?
The IUPAC name of methyl 2-(cyclobutanecarbonylamino)-3-methylbutanoate (CID 551663) is methyl 2-(cyclobutanecarbonylamino)-3-methylbutanoate.
What is the SMILES notation for methyl 2-(cyclobutanecarbonylamino)-3-methylbutanoate?
The canonical SMILES for methyl 2-(cyclobutanecarbonylamino)-3-methylbutanoate is COC(=O)C(NC(=O)C1CCC1)C(C)C.
What is the InChIKey of methyl 2-(cyclobutanecarbonylamino)-3-methylbutanoate?
The InChIKey is DUGWLCCFLOVJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-7(2)9(11(14)15-3)12-10(13)8-5-4-6-8/h7-9H,4-6H2,1-3H3,(H,12,13).
What are the key properties of methyl 2-(cyclobutanecarbonylamino)-3-methylbutanoate?
methyl 2-(cyclobutanecarbonylamino)-3-methylbutanoate has a molecular weight of 213.28 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclobutanecarbonylamino)-3-methylbutanoate is sourced from PubChem (CID 551663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).