2-[(1-aminocyclobutanecarbonyl)-methylamino]propanoic acid

C9H16N2O3 — CID 81169408

IUPAC2-[(1-aminocyclobutanecarbonyl)-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)C1(N)CCC1
InChIInChI=1S/C9H16N2O3/c1-6(7(12)13)11(2)8(14)9(10)4-3-5-9/h6H,3-5,10H2,1-2H3,(H,12,13)
InChIKeyWTJVLPKIYIIDKL-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.20
Rot. Bonds3

About 2-[(1-aminocyclobutanecarbonyl)-methylamino]propanoic acid

2-[(1-aminocyclobutanecarbonyl)-methylamino]propanoic acid (PubChem CID 81169408) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-[(1-aminocyclobutanecarbonyl)-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(1-aminocyclobutanecarbonyl)-methylamino]propanoic acid
PubChem CID81169408
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name2-[(1-aminocyclobutanecarbonyl)-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)C1(N)CCC1
InChIInChI=1S/C9H16N2O3/c1-6(7(12)13)11(2)8(14)9(10)4-3-5-9/h6H,3-5,10H2,1-2H3,(H,12,13)
InChIKeyWTJVLPKIYIIDKL-UHFFFAOYSA-N
XLogP-0.20
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-aminocyclobutanecarbonyl)-methylamino]propanoic acid?
The IUPAC name of 2-[(1-aminocyclobutanecarbonyl)-methylamino]propanoic acid (CID 81169408) is 2-[(1-aminocyclobutanecarbonyl)-methylamino]propanoic acid.
What is the SMILES notation for 2-[(1-aminocyclobutanecarbonyl)-methylamino]propanoic acid?
The canonical SMILES for 2-[(1-aminocyclobutanecarbonyl)-methylamino]propanoic acid is CC(C(=O)O)N(C)C(=O)C1(N)CCC1.
What is the InChIKey of 2-[(1-aminocyclobutanecarbonyl)-methylamino]propanoic acid?
The InChIKey is WTJVLPKIYIIDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-6(7(12)13)11(2)8(14)9(10)4-3-5-9/h6H,3-5,10H2,1-2H3,(H,12,13).
What are the key properties of 2-[(1-aminocyclobutanecarbonyl)-methylamino]propanoic acid?
2-[(1-aminocyclobutanecarbonyl)-methylamino]propanoic acid has a molecular weight of 200.24 g/mol, XLogP of -0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-aminocyclobutanecarbonyl)-methylamino]propanoic acid is sourced from PubChem (CID 81169408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).