methyl 3-[[(2S)-2-aminobutanoyl]-methylamino]-2-methylpropanoate

C10H20N2O3 — CID 79024253

IUPACmethyl 3-[[(2S)-2-aminobutanoyl]-methylamino]-2-methylpropanoate
SMILESCC[C@H](N)C(=O)N(C)CC(C)C(=O)OC
InChIInChI=1S/C10H20N2O3/c1-5-8(11)9(13)12(3)6-7(2)10(14)15-4/h7-8H,5-6,11H2,1-4H3/t7?,8-/m0/s1
InChIKeyZUWCGJIWNYDMSA-MQWKRIRWSA-N
MW216.28 g/mol
LogP-0.01
Rot. Bonds5

About methyl 3-[[(2S)-2-aminobutanoyl]-methylamino]-2-methylpropanoate

methyl 3-[[(2S)-2-aminobutanoyl]-methylamino]-2-methylpropanoate (PubChem CID 79024253) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is methyl 3-[[(2S)-2-aminobutanoyl]-methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[[(2S)-2-aminobutanoyl]-methylamino]-2-methylpropanoate
PubChem CID79024253
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Namemethyl 3-[[(2S)-2-aminobutanoyl]-methylamino]-2-methylpropanoate
SMILESCC[C@H](N)C(=O)N(C)CC(C)C(=O)OC
InChIInChI=1S/C10H20N2O3/c1-5-8(11)9(13)12(3)6-7(2)10(14)15-4/h7-8H,5-6,11H2,1-4H3/t7?,8-/m0/s1
InChIKeyZUWCGJIWNYDMSA-MQWKRIRWSA-N
XLogP-0.01
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(2-amino-4-methylsulfonylbutanoyl)-methylamino]-2-methylpropanoate
CID 54873448
methyl 3-[[(2S)-2-amino-3-phenylpropanoyl]-methylamino]-2-methylpropanoate
CID 61163621
methyl 3-[[2-(carbamoylamino)-3-methylbutanoyl]-methylamino]-2-methylpropanoate
CID 55008307
methyl 3-[[2-(butan-2-ylamino)acetyl]-methylamino]-2-methylpropanoate
CID 54873462
(2S)-2-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]amino]pentanoic acid
CID 107566626
(2S)-2-amino-N-methyl-N-propylbutanamide
CID 79025089
methyl 3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanoate
CID 104552508
(2R)-2-amino-N-methyl-N-(2-propan-2-yloxyethyl)butanamide
CID 81055167
(2S)-2-amino-N-(3-methoxypropyl)-N-methylbutanamide
CID 79023136
2-amino-N-(3-methoxypropyl)-N-methylbutanamide
CID 63010217
methyl 3-[(1-amino-1-oxobutan-2-yl)-methylamino]-2-methylpropanoate
CID 62900263
(2R)-3-hydroxy-2-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]amino]propanoic acid
CID 80757790

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(2S)-2-aminobutanoyl]-methylamino]-2-methylpropanoate?
The IUPAC name of methyl 3-[[(2S)-2-aminobutanoyl]-methylamino]-2-methylpropanoate (CID 79024253) is methyl 3-[[(2S)-2-aminobutanoyl]-methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[[(2S)-2-aminobutanoyl]-methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[[(2S)-2-aminobutanoyl]-methylamino]-2-methylpropanoate is CC[C@H](N)C(=O)N(C)CC(C)C(=O)OC.
What is the InChIKey of methyl 3-[[(2S)-2-aminobutanoyl]-methylamino]-2-methylpropanoate?
The InChIKey is ZUWCGJIWNYDMSA-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-5-8(11)9(13)12(3)6-7(2)10(14)15-4/h7-8H,5-6,11H2,1-4H3/t7?,8-/m0/s1.
What are the key properties of methyl 3-[[(2S)-2-aminobutanoyl]-methylamino]-2-methylpropanoate?
methyl 3-[[(2S)-2-aminobutanoyl]-methylamino]-2-methylpropanoate has a molecular weight of 216.28 g/mol, XLogP of -0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(2S)-2-aminobutanoyl]-methylamino]-2-methylpropanoate is sourced from PubChem (CID 79024253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).