methyl 2-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-methylpropanoate

C10H20N2O3 — CID 79011701

IUPACmethyl 2-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)[C@H](N)C(C)C
InChIInChI=1S/C10H20N2O3/c1-6(2)7(11)8(13)12-10(3,4)9(14)15-5/h6-7H,11H2,1-5H3,(H,12,13)/t7-/m1/s1
InChIKeyCUSKVZBDSIRLKO-SSDOTTSWSA-N
MW216.28 g/mol
LogP0.04
Rot. Bonds4

About methyl 2-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-methylpropanoate

methyl 2-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-methylpropanoate (PubChem CID 79011701) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is methyl 2-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-methylpropanoate
PubChem CID79011701
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Namemethyl 2-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)[C@H](N)C(C)C
InChIInChI=1S/C10H20N2O3/c1-6(2)7(11)8(13)12-10(3,4)9(14)15-5/h6-7H,11H2,1-5H3,(H,12,13)/t7-/m1/s1
InChIKeyCUSKVZBDSIRLKO-SSDOTTSWSA-N
XLogP0.04
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-methylpropanoate with MolForge

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Related Compounds

(2R)-2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-methylbutanamide
CID 79013078
tert-butyl 2-[[2-[[2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoate
CID 10649464
methyl 2-[(4-amino-2-methylbutanoyl)amino]-2-methylpropanoate
CID 80543490
dimethyl 2-(1-aminoethyl)-2-methylpropanedioate
CID 154853473
(3S)-3-amino-4-[[(2S)-1-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 73347171
methyl 2-[(2-amino-4-methoxybutanoyl)amino]-2-methylpropanoate
CID 62474644
(2S)-2-amino-3-methyl-N-(3-methylpentan-3-yl)butanamide
CID 106328618
methyl 2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-2-methylpropanoate
CID 104907366
methyl 2-[[3-(ethylamino)-2-methylpropanoyl]amino]-2-methylpropanoate
CID 62851658
methyl 2-[(2-amino-4-phenylbutanoyl)amino]-2-methylpropanoate
CID 114926078
methyl 2-methyl-2-(3-methylbutan-2-ylamino)propanoate
CID 43726051
methyl 2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-2-methylpropanoate
CID 65264360

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-methylpropanoate (CID 79011701) is methyl 2-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-methylpropanoate is COC(=O)C(C)(C)NC(=O)[C@H](N)C(C)C.
What is the InChIKey of methyl 2-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-methylpropanoate?
The InChIKey is CUSKVZBDSIRLKO-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-6(2)7(11)8(13)12-10(3,4)9(14)15-5/h6-7H,11H2,1-5H3,(H,12,13)/t7-/m1/s1.
What are the key properties of methyl 2-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-methylpropanoate?
methyl 2-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-methylpropanoate has a molecular weight of 216.28 g/mol, XLogP of 0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-methylpropanoate is sourced from PubChem (CID 79011701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).