(2S)-2-[[2-methyl-2-(propan-2-ylamino)propanoyl]amino]propanoic acid

C10H20N2O3 — CID 59926454

IUPAC(2S)-2-[[2-methyl-2-(propan-2-ylamino)propanoyl]amino]propanoic acid
SMILESCC(C)NC(C)(C)C(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-6(2)12-10(4,5)9(15)11-7(3)8(13)14/h6-7,12H,1-5H3,(H,11,15)(H,13,14)/t7-/m0/s1
InChIKeyADILWWCEOGENOS-ZETCQYMHSA-N
MW216.28 g/mol
LogP0.35
Rot. Bonds5

About (2S)-2-[[2-methyl-2-(propan-2-ylamino)propanoyl]amino]propanoic acid

(2S)-2-[[2-methyl-2-(propan-2-ylamino)propanoyl]amino]propanoic acid (PubChem CID 59926454) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is (2S)-2-[[2-methyl-2-(propan-2-ylamino)propanoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-methyl-2-(propan-2-ylamino)propanoyl]amino]propanoic acid
PubChem CID59926454
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name(2S)-2-[[2-methyl-2-(propan-2-ylamino)propanoyl]amino]propanoic acid
SMILESCC(C)NC(C)(C)C(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-6(2)12-10(4,5)9(15)11-7(3)8(13)14/h6-7,12H,1-5H3,(H,11,15)(H,13,14)/t7-/m0/s1
InChIKeyADILWWCEOGENOS-ZETCQYMHSA-N
XLogP0.35
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-methyl-2-(propan-2-ylamino)propanoyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[2-methyl-2-(propan-2-ylamino)propanoyl]amino]propanoic acid (CID 59926454) is (2S)-2-[[2-methyl-2-(propan-2-ylamino)propanoyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[2-methyl-2-(propan-2-ylamino)propanoyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[2-methyl-2-(propan-2-ylamino)propanoyl]amino]propanoic acid is CC(C)NC(C)(C)C(=O)N[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-[[2-methyl-2-(propan-2-ylamino)propanoyl]amino]propanoic acid?
The InChIKey is ADILWWCEOGENOS-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-6(2)12-10(4,5)9(15)11-7(3)8(13)14/h6-7,12H,1-5H3,(H,11,15)(H,13,14)/t7-/m0/s1.
What are the key properties of (2S)-2-[[2-methyl-2-(propan-2-ylamino)propanoyl]amino]propanoic acid?
(2S)-2-[[2-methyl-2-(propan-2-ylamino)propanoyl]amino]propanoic acid has a molecular weight of 216.28 g/mol, XLogP of 0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-methyl-2-(propan-2-ylamino)propanoyl]amino]propanoic acid is sourced from PubChem (CID 59926454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).