(2S)-2-[(2-amino-2-methylpropanoyl)-methylamino]propanoic acid

C8H16N2O3 — CID 94522468

IUPAC(2S)-2-[(2-amino-2-methylpropanoyl)-methylamino]propanoic acid
SMILESC[C@@H](C(=O)O)N(C)C(=O)C(C)(C)N
InChIInChI=1S/C8H16N2O3/c1-5(6(11)12)10(4)7(13)8(2,3)9/h5H,9H2,1-4H3,(H,11,12)/t5-/m0/s1
InChIKeyJKMHNXXNVUNKGG-YFKPBYRVSA-N
MW188.23 g/mol
LogP-0.34
Rot. Bonds3

About (2S)-2-[(2-amino-2-methylpropanoyl)-methylamino]propanoic acid

(2S)-2-[(2-amino-2-methylpropanoyl)-methylamino]propanoic acid (PubChem CID 94522468) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is (2S)-2-[(2-amino-2-methylpropanoyl)-methylamino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-amino-2-methylpropanoyl)-methylamino]propanoic acid
PubChem CID94522468
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name(2S)-2-[(2-amino-2-methylpropanoyl)-methylamino]propanoic acid
SMILESC[C@@H](C(=O)O)N(C)C(=O)C(C)(C)N
InChIInChI=1S/C8H16N2O3/c1-5(6(11)12)10(4)7(13)8(2,3)9/h5H,9H2,1-4H3,(H,11,12)/t5-/m0/s1
InChIKeyJKMHNXXNVUNKGG-YFKPBYRVSA-N
XLogP-0.34
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-amino-2-methylpropanoyl)-methylamino]propanoic acid?
The IUPAC name of (2S)-2-[(2-amino-2-methylpropanoyl)-methylamino]propanoic acid (CID 94522468) is (2S)-2-[(2-amino-2-methylpropanoyl)-methylamino]propanoic acid.
What is the SMILES notation for (2S)-2-[(2-amino-2-methylpropanoyl)-methylamino]propanoic acid?
The canonical SMILES for (2S)-2-[(2-amino-2-methylpropanoyl)-methylamino]propanoic acid is C[C@@H](C(=O)O)N(C)C(=O)C(C)(C)N.
What is the InChIKey of (2S)-2-[(2-amino-2-methylpropanoyl)-methylamino]propanoic acid?
The InChIKey is JKMHNXXNVUNKGG-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-5(6(11)12)10(4)7(13)8(2,3)9/h5H,9H2,1-4H3,(H,11,12)/t5-/m0/s1.
What are the key properties of (2S)-2-[(2-amino-2-methylpropanoyl)-methylamino]propanoic acid?
(2S)-2-[(2-amino-2-methylpropanoyl)-methylamino]propanoic acid has a molecular weight of 188.23 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-amino-2-methylpropanoyl)-methylamino]propanoic acid is sourced from PubChem (CID 94522468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).