2-aminobutanoic acid;carbamic acid

C5H12N2O4 — CID 87185856

IUPAC2-aminobutanoic acid;carbamic acid
SMILESCCC(N)C(=O)O.NC(=O)O
InChIInChI=1S/C4H9NO2.CH3NO2/c1-2-3(5)4(6)7;2-1(3)4/h3H,2,5H2,1H3,(H,6,7);2H2,(H,3,4)
InChIKeyCUPGFOOVVHILIQ-UHFFFAOYSA-N
MW164.16 g/mol
LogP-0.57
Rot. Bonds2

About 2-aminobutanoic acid;carbamic acid

2-aminobutanoic acid;carbamic acid (PubChem CID 87185856) has the molecular formula C5H12N2O4 and a molecular weight of 164.16 g/mol. Its IUPAC name is 2-aminobutanoic acid;carbamic acid.

Molecular Properties

Compound Name2-aminobutanoic acid;carbamic acid
PubChem CID87185856
Molecular FormulaC5H12N2O4
Molecular Weight164.16 g/mol
Exact Mass164.08
IUPAC Name2-aminobutanoic acid;carbamic acid
SMILESCCC(N)C(=O)O.NC(=O)O
InChIInChI=1S/C4H9NO2.CH3NO2/c1-2-3(5)4(6)7;2-1(3)4/h3H,2,5H2,1H3,(H,6,7);2H2,(H,3,4)
InChIKeyCUPGFOOVVHILIQ-UHFFFAOYSA-N
XLogP-0.57
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 5-0.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-aminobutanoic acid;carbamic acid?
The IUPAC name of 2-aminobutanoic acid;carbamic acid (CID 87185856) is 2-aminobutanoic acid;carbamic acid.
What is the SMILES notation for 2-aminobutanoic acid;carbamic acid?
The canonical SMILES for 2-aminobutanoic acid;carbamic acid is CCC(N)C(=O)O.NC(=O)O.
What is the InChIKey of 2-aminobutanoic acid;carbamic acid?
The InChIKey is CUPGFOOVVHILIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2.CH3NO2/c1-2-3(5)4(6)7;2-1(3)4/h3H,2,5H2,1H3,(H,6,7);2H2,(H,3,4).
What are the key properties of 2-aminobutanoic acid;carbamic acid?
2-aminobutanoic acid;carbamic acid has a molecular weight of 164.16 g/mol, XLogP of -0.57, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobutanoic acid;carbamic acid is sourced from PubChem (CID 87185856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).