(2S)-2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]propanoic acid

C9H18N2O3 — CID 61173855

IUPAC(2S)-2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]propanoic acid
SMILESC[C@H](NC(=O)[C@@H](N)C(C)(C)C)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-5(8(13)14)11-7(12)6(10)9(2,3)4/h5-6H,10H2,1-4H3,(H,11,12)(H,13,14)/t5-,6+/m0/s1
InChIKeyAZBLYDYOPLRMOZ-NTSWFWBYSA-N
MW202.25 g/mol
LogP-0.05
Rot. Bonds3

About (2S)-2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]propanoic acid

(2S)-2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]propanoic acid (PubChem CID 61173855) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]propanoic acid
PubChem CID61173855
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name(2S)-2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]propanoic acid
SMILESC[C@H](NC(=O)[C@@H](N)C(C)(C)C)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-5(8(13)14)11-7(12)6(10)9(2,3)4/h5-6H,10H2,1-4H3,(H,11,12)(H,13,14)/t5-,6+/m0/s1
InChIKeyAZBLYDYOPLRMOZ-NTSWFWBYSA-N
XLogP-0.05
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]propanoic acid (CID 61173855) is (2S)-2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]propanoic acid is C[C@H](NC(=O)[C@@H](N)C(C)(C)C)C(=O)O.
What is the InChIKey of (2S)-2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]propanoic acid?
The InChIKey is AZBLYDYOPLRMOZ-NTSWFWBYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-5(8(13)14)11-7(12)6(10)9(2,3)4/h5-6H,10H2,1-4H3,(H,11,12)(H,13,14)/t5-,6+/m0/s1.
What are the key properties of (2S)-2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]propanoic acid?
(2S)-2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]propanoic acid has a molecular weight of 202.25 g/mol, XLogP of -0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]propanoic acid is sourced from PubChem (CID 61173855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).