methyl 2-amino-4-[cyclobutylmethyl(methyl)amino]butanoate

C11H22N2O2 — CID 63054893

IUPACmethyl 2-amino-4-[cyclobutylmethyl(methyl)amino]butanoate
SMILESCOC(=O)C(N)CCN(C)CC1CCC1
InChIInChI=1S/C11H22N2O2/c1-13(8-9-4-3-5-9)7-6-10(12)11(14)15-2/h9-10H,3-8,12H2,1-2H3
InChIKeyNTUIGUCPVYCBRI-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.61
Rot. Bonds6

About methyl 2-amino-4-[cyclobutylmethyl(methyl)amino]butanoate

methyl 2-amino-4-[cyclobutylmethyl(methyl)amino]butanoate (PubChem CID 63054893) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is methyl 2-amino-4-[cyclobutylmethyl(methyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 2-amino-4-[cyclobutylmethyl(methyl)amino]butanoate
PubChem CID63054893
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Namemethyl 2-amino-4-[cyclobutylmethyl(methyl)amino]butanoate
SMILESCOC(=O)C(N)CCN(C)CC1CCC1
InChIInChI=1S/C11H22N2O2/c1-13(8-9-4-3-5-9)7-6-10(12)11(14)15-2/h9-10H,3-8,12H2,1-2H3
InChIKeyNTUIGUCPVYCBRI-UHFFFAOYSA-N
XLogP0.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-3-[cyclopentylmethyl(methyl)amino]propanoate
CID 63632179
ethyl 2-amino-4-[cyclopropylmethyl(methyl)amino]butanoate
CID 63054415
methyl 2-amino-4-[cyclopropylmethyl(ethyl)amino]butanoate
CID 63956082
methyl 2-amino-4-[cyclopentyl(ethyl)amino]butanoate
CID 63027486
4-[cyclobutylmethyl(methyl)amino]-2-(methylamino)butanamide
CID 63055054
methyl 3-[cyclobutylmethyl(methyl)amino]-2-(propan-2-ylamino)propanoate
CID 62861231
methyl (2R)-2-amino-4-cyclohexylbutanoate
CID 150785903
methyl (2S)-2-amino-3-cyclobutylpropanoate;hydrochloride
CID 137346923
methyl 2-amino-4-(1-methylpiperidin-3-yl)butanoate
CID 116851548
methyl 4-[cyclopentylmethyl(methyl)amino]butanoate
CID 62013646
methyl 2-amino-3-[methyl-(1-methylpiperidin-3-yl)amino]propanoate
CID 62545953
3-[cyclopentylmethyl(methyl)amino]propanamide
CID 62059581

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-[cyclobutylmethyl(methyl)amino]butanoate?
The IUPAC name of methyl 2-amino-4-[cyclobutylmethyl(methyl)amino]butanoate (CID 63054893) is methyl 2-amino-4-[cyclobutylmethyl(methyl)amino]butanoate.
What is the SMILES notation for methyl 2-amino-4-[cyclobutylmethyl(methyl)amino]butanoate?
The canonical SMILES for methyl 2-amino-4-[cyclobutylmethyl(methyl)amino]butanoate is COC(=O)C(N)CCN(C)CC1CCC1.
What is the InChIKey of methyl 2-amino-4-[cyclobutylmethyl(methyl)amino]butanoate?
The InChIKey is NTUIGUCPVYCBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-13(8-9-4-3-5-9)7-6-10(12)11(14)15-2/h9-10H,3-8,12H2,1-2H3.
What are the key properties of methyl 2-amino-4-[cyclobutylmethyl(methyl)amino]butanoate?
methyl 2-amino-4-[cyclobutylmethyl(methyl)amino]butanoate has a molecular weight of 214.31 g/mol, XLogP of 0.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-[cyclobutylmethyl(methyl)amino]butanoate is sourced from PubChem (CID 63054893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).