methyl 3-[[(2R)-2-amino-3-methylbutanoyl]-(2-methylpropyl)amino]propanoate

C13H26N2O3 — CID 79012450

IUPACmethyl 3-[[(2R)-2-amino-3-methylbutanoyl]-(2-methylpropyl)amino]propanoate
SMILESCOC(=O)CCN(CC(C)C)C(=O)[C@H](N)C(C)C
InChIInChI=1S/C13H26N2O3/c1-9(2)8-15(7-6-11(16)18-5)13(17)12(14)10(3)4/h9-10,12H,6-8,14H2,1-5H3/t12-/m1/s1
InChIKeyZNGHDQCQMNOVII-GFCCVEGCSA-N
MW258.36 g/mol
LogP1.02
Rot. Bonds7

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

methyl 3-[[(2R)-2-amino-3-methylbutanoyl]-(2-methylpropyl)amino]propanoate (PubChem CID 79012450) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is methyl 3-[[(2R)-2-amino-3-methylbutanoyl]-(2-methylpropyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[(2R)-2-amino-3-methylbutanoyl]-(2-methylpropyl)amino]propanoate
PubChem CID79012450
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Namemethyl 3-[[(2R)-2-amino-3-methylbutanoyl]-(2-methylpropyl)amino]propanoate
SMILESCOC(=O)CCN(CC(C)C)C(=O)[C@H](N)C(C)C
InChIInChI=1S/C13H26N2O3/c1-9(2)8-15(7-6-11(16)18-5)13(17)12(14)10(3)4/h9-10,12H,6-8,14H2,1-5H3/t12-/m1/s1
InChIKeyZNGHDQCQMNOVII-GFCCVEGCSA-N
XLogP1.02
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

(2S)-2-amino-N-(2-methoxyethyl)-3-methyl-N-(2-methylpropyl)butanamide
CID 61162971
methyl 3-[(2-chloro-2-fluoroacetyl)-(2-methylpropyl)amino]propanoate
CID 166334711
methyl 3-[2-(aminomethyl)butanoyl-(2-methylpropyl)amino]propanoate
CID 65227049
methyl 3-[2-(aminomethyl)pentanoyl-(2-methylpropyl)amino]propanoate
CID 65227098
ethyl 2-[[(2R)-2-amino-3-methylbutanoyl]-(2-methylpropyl)amino]acetate
CID 79013313
(2S)-2-amino-N-(2-cyanoethyl)-3-methyl-N-(2-methylpropyl)butanamide
CID 61162671
methyl 3-[2-methylpropyl(2,2,3,3-tetrafluoropropanoyl)amino]propanoate
CID 103733048
methyl 3-[4-hydroxybutanoyl(2-methylpropyl)amino]propanoate
CID 79203299
methyl 3-[(2-amino-2-cyclopropylpropanoyl)-(2-methylpropyl)amino]propanoate
CID 54872362
methyl 3-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-methylamino]propanoate
CID 62010902
methyl 3-[[(2S)-2-amino-3-methylpentanoyl]-(2,2,2-trifluoroethyl)amino]propanoate
CID 61172693
2-amino-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 54871893

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(2R)-2-amino-3-methylbutanoyl]-(2-methylpropyl)amino]propanoate?
The IUPAC name of methyl 3-[[(2R)-2-amino-3-methylbutanoyl]-(2-methylpropyl)amino]propanoate (CID 79012450) is methyl 3-[[(2R)-2-amino-3-methylbutanoyl]-(2-methylpropyl)amino]propanoate.
What is the SMILES notation for methyl 3-[[(2R)-2-amino-3-methylbutanoyl]-(2-methylpropyl)amino]propanoate?
The canonical SMILES for methyl 3-[[(2R)-2-amino-3-methylbutanoyl]-(2-methylpropyl)amino]propanoate is COC(=O)CCN(CC(C)C)C(=O)[C@H](N)C(C)C.
What is the InChIKey of methyl 3-[[(2R)-2-amino-3-methylbutanoyl]-(2-methylpropyl)amino]propanoate?
The InChIKey is ZNGHDQCQMNOVII-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-9(2)8-15(7-6-11(16)18-5)13(17)12(14)10(3)4/h9-10,12H,6-8,14H2,1-5H3/t12-/m1/s1.
What are the key properties of methyl 3-[[(2R)-2-amino-3-methylbutanoyl]-(2-methylpropyl)amino]propanoate?
methyl 3-[[(2R)-2-amino-3-methylbutanoyl]-(2-methylpropyl)amino]propanoate has a molecular weight of 258.36 g/mol, XLogP of 1.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(2R)-2-amino-3-methylbutanoyl]-(2-methylpropyl)amino]propanoate is sourced from PubChem (CID 79012450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).