methyl 2-amino-3-[methyl(2-methylbutan-2-yl)amino]propanoate

C10H22N2O2 — CID 63965365

IUPACmethyl 2-amino-3-[methyl(2-methylbutan-2-yl)amino]propanoate
SMILESCCC(C)(C)N(C)CC(N)C(=O)OC
InChIInChI=1S/C10H22N2O2/c1-6-10(2,3)12(4)7-8(11)9(13)14-5/h8H,6-7,11H2,1-5H3
InChIKeyNXQVQORRVMBWMQ-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.61
Rot. Bonds5

About methyl 2-amino-3-[methyl(2-methylbutan-2-yl)amino]propanoate

methyl 2-amino-3-[methyl(2-methylbutan-2-yl)amino]propanoate (PubChem CID 63965365) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is methyl 2-amino-3-[methyl(2-methylbutan-2-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-[methyl(2-methylbutan-2-yl)amino]propanoate
PubChem CID63965365
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Namemethyl 2-amino-3-[methyl(2-methylbutan-2-yl)amino]propanoate
SMILESCCC(C)(C)N(C)CC(N)C(=O)OC
InChIInChI=1S/C10H22N2O2/c1-6-10(2,3)12(4)7-8(11)9(13)14-5/h8H,6-7,11H2,1-5H3
InChIKeyNXQVQORRVMBWMQ-UHFFFAOYSA-N
XLogP0.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

bis(methyl (2S)-2-aminobutanoate);dihydrochloride
CID 174939060
methyl (2S)-2-amino-4-chloro-4-methylpentanoate
CID 122367431
methyl 4-[methyl(2-methylbutan-2-yl)amino]butanoate
CID 63965064
methyl 2-aminopentanoate
CID 533890
5-methoxy-1-N-methyl-1-N-(2-methylbutan-2-yl)pentane-1,2-diamine
CID 81101412
ethyl 4-[methyl(2-methylbutan-2-yl)amino]-3-oxobutanoate
CID 63966632
methyl (2S)-2-amino-3-hydroxypropanoate
CID 2723731
methyl (2S)-2-amino-3-(2-methylbutan-2-yloxycarbonylamino)propanoate
CID 131977674
2-amino-2-methyl-4-[methyl(2-methylbutan-2-yl)amino]butanoic acid
CID 63967132
methyl 2-amino-3-tert-butylsulfanylpropanoate
CID 23079585
methyl 2-amino-5,5-dimethyl-4-oxohexanoate;hydrochloride
CID 105481491
methyl 2-amino-3-[cyclopentylmethyl(methyl)amino]propanoate
CID 63632179

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-[methyl(2-methylbutan-2-yl)amino]propanoate?
The IUPAC name of methyl 2-amino-3-[methyl(2-methylbutan-2-yl)amino]propanoate (CID 63965365) is methyl 2-amino-3-[methyl(2-methylbutan-2-yl)amino]propanoate.
What is the SMILES notation for methyl 2-amino-3-[methyl(2-methylbutan-2-yl)amino]propanoate?
The canonical SMILES for methyl 2-amino-3-[methyl(2-methylbutan-2-yl)amino]propanoate is CCC(C)(C)N(C)CC(N)C(=O)OC.
What is the InChIKey of methyl 2-amino-3-[methyl(2-methylbutan-2-yl)amino]propanoate?
The InChIKey is NXQVQORRVMBWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-6-10(2,3)12(4)7-8(11)9(13)14-5/h8H,6-7,11H2,1-5H3.
What are the key properties of methyl 2-amino-3-[methyl(2-methylbutan-2-yl)amino]propanoate?
methyl 2-amino-3-[methyl(2-methylbutan-2-yl)amino]propanoate has a molecular weight of 202.30 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-[methyl(2-methylbutan-2-yl)amino]propanoate is sourced from PubChem (CID 63965365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).