methyl (2S)-2-[(2-amino-2-methylpropanoyl)amino]propanoate

C8H16N2O3 — CID 61265011

IUPACmethyl (2S)-2-[(2-amino-2-methylpropanoyl)amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)C(C)(C)N
InChIInChI=1S/C8H16N2O3/c1-5(6(11)13-4)10-7(12)8(2,3)9/h5H,9H2,1-4H3,(H,10,12)/t5-/m0/s1
InChIKeyVXTGCMAJTYLSBW-YFKPBYRVSA-N
MW188.23 g/mol
LogP-0.60
Rot. Bonds3

About methyl (2S)-2-[(2-amino-2-methylpropanoyl)amino]propanoate

methyl (2S)-2-[(2-amino-2-methylpropanoyl)amino]propanoate (PubChem CID 61265011) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is methyl (2S)-2-[(2-amino-2-methylpropanoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(2-amino-2-methylpropanoyl)amino]propanoate
PubChem CID61265011
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Namemethyl (2S)-2-[(2-amino-2-methylpropanoyl)amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)C(C)(C)N
InChIInChI=1S/C8H16N2O3/c1-5(6(11)13-4)10-7(12)8(2,3)9/h5H,9H2,1-4H3,(H,10,12)/t5-/m0/s1
InChIKeyVXTGCMAJTYLSBW-YFKPBYRVSA-N
XLogP-0.60
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-(2,2-dimethylpropanoylamino)propanoate
CID 7024878
ethyl 2-[(2-amino-2-methylpropanoyl)amino]propanoate
CID 61498902
methyl (2S)-2-[(2-amino-2-methylbutanoyl)amino]propanoate
CID 79797109
(2S)-2-[(2-amino-2-methylpropanoyl)amino]propanoic acid
CID 54118919
methyl (2S)-2-[(2-amino-2-methylpropanoyl)amino]-4-methylpentanoate
CID 103954730
2-amino-2-methyl-N-(3-methylbutan-2-yl)propanamide
CID 61264796
methyl 2-[[3-[(1-methoxy-1-oxopropan-2-yl)amino]-2,2-dimethyl-3-oxopropanoyl]amino]butanoate
CID 123166655
methyl (2R)-2-acetamidopropanoate
CID 6951031
2-amino-2-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)propanamide
CID 61267195
tert-butyl (2R)-2-(2,2-dimethylpropanoylamino)propanoate
CID 81004146
ethyl 2-[(2-amino-2-methylbutanoyl)amino]propanoate
CID 79805903
2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-2-methylpropanamide
CID 79249834

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(2-amino-2-methylpropanoyl)amino]propanoate?
The IUPAC name of methyl (2S)-2-[(2-amino-2-methylpropanoyl)amino]propanoate (CID 61265011) is methyl (2S)-2-[(2-amino-2-methylpropanoyl)amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[(2-amino-2-methylpropanoyl)amino]propanoate?
The canonical SMILES for methyl (2S)-2-[(2-amino-2-methylpropanoyl)amino]propanoate is COC(=O)[C@H](C)NC(=O)C(C)(C)N.
What is the InChIKey of methyl (2S)-2-[(2-amino-2-methylpropanoyl)amino]propanoate?
The InChIKey is VXTGCMAJTYLSBW-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-5(6(11)13-4)10-7(12)8(2,3)9/h5H,9H2,1-4H3,(H,10,12)/t5-/m0/s1.
What are the key properties of methyl (2S)-2-[(2-amino-2-methylpropanoyl)amino]propanoate?
methyl (2S)-2-[(2-amino-2-methylpropanoyl)amino]propanoate has a molecular weight of 188.23 g/mol, XLogP of -0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(2-amino-2-methylpropanoyl)amino]propanoate is sourced from PubChem (CID 61265011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).