3-[(2-aminoacetyl)amino]-2,2,3-trimethylbutanoic acid

C9H18N2O3 — CID 65265732

IUPAC3-[(2-aminoacetyl)amino]-2,2,3-trimethylbutanoic acid
SMILESCC(C)(NC(=O)CN)C(C)(C)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-8(2,7(13)14)9(3,4)11-6(12)5-10/h5,10H2,1-4H3,(H,11,12)(H,13,14)
InChIKeyFPNSLRYOBYGKPC-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.05
Rot. Bonds4

About 3-[(2-aminoacetyl)amino]-2,2,3-trimethylbutanoic acid

3-[(2-aminoacetyl)amino]-2,2,3-trimethylbutanoic acid (PubChem CID 65265732) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 3-[(2-aminoacetyl)amino]-2,2,3-trimethylbutanoic acid.

Molecular Properties

Compound Name3-[(2-aminoacetyl)amino]-2,2,3-trimethylbutanoic acid
PubChem CID65265732
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name3-[(2-aminoacetyl)amino]-2,2,3-trimethylbutanoic acid
SMILESCC(C)(NC(=O)CN)C(C)(C)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-8(2,7(13)14)9(3,4)11-6(12)5-10/h5,10H2,1-4H3,(H,11,12)(H,13,14)
InChIKeyFPNSLRYOBYGKPC-UHFFFAOYSA-N
XLogP-0.05
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
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 3-[(2-aminoacetyl)amino]-2,2,3-trimethylbutanoic acid?
The IUPAC name of 3-[(2-aminoacetyl)amino]-2,2,3-trimethylbutanoic acid (CID 65265732) is 3-[(2-aminoacetyl)amino]-2,2,3-trimethylbutanoic acid.
What is the SMILES notation for 3-[(2-aminoacetyl)amino]-2,2,3-trimethylbutanoic acid?
The canonical SMILES for 3-[(2-aminoacetyl)amino]-2,2,3-trimethylbutanoic acid is CC(C)(NC(=O)CN)C(C)(C)C(=O)O.
What is the InChIKey of 3-[(2-aminoacetyl)amino]-2,2,3-trimethylbutanoic acid?
The InChIKey is FPNSLRYOBYGKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-8(2,7(13)14)9(3,4)11-6(12)5-10/h5,10H2,1-4H3,(H,11,12)(H,13,14).
What are the key properties of 3-[(2-aminoacetyl)amino]-2,2,3-trimethylbutanoic acid?
3-[(2-aminoacetyl)amino]-2,2,3-trimethylbutanoic acid has a molecular weight of 202.25 g/mol, XLogP of -0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-aminoacetyl)amino]-2,2,3-trimethylbutanoic acid is sourced from PubChem (CID 65265732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).