3-(2-carboxypropylamino)-2-methylpropanoic acid

C8H15NO4 — CID 13451328

IUPAC3-(2-carboxypropylamino)-2-methylpropanoic acid
SMILESCC(CNCC(C)C(=O)O)C(=O)O
InChIInChI=1S/C8H15NO4/c1-5(7(10)11)3-9-4-6(2)8(12)13/h5-6,9H,3-4H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyKYSSOIWMVUQVCH-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.02
Rot. Bonds6

About 3-(2-carboxypropylamino)-2-methylpropanoic acid

3-(2-carboxypropylamino)-2-methylpropanoic acid (PubChem CID 13451328) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 3-(2-carboxypropylamino)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(2-carboxypropylamino)-2-methylpropanoic acid
PubChem CID13451328
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name3-(2-carboxypropylamino)-2-methylpropanoic acid
SMILESCC(CNCC(C)C(=O)O)C(=O)O
InChIInChI=1S/C8H15NO4/c1-5(7(10)11)3-9-4-6(2)8(12)13/h5-6,9H,3-4H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyKYSSOIWMVUQVCH-UHFFFAOYSA-N
XLogP0.02
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-carboxypropylamino)-2-methylpropanoic acid?
The IUPAC name of 3-(2-carboxypropylamino)-2-methylpropanoic acid (CID 13451328) is 3-(2-carboxypropylamino)-2-methylpropanoic acid.
What is the SMILES notation for 3-(2-carboxypropylamino)-2-methylpropanoic acid?
The canonical SMILES for 3-(2-carboxypropylamino)-2-methylpropanoic acid is CC(CNCC(C)C(=O)O)C(=O)O.
What is the InChIKey of 3-(2-carboxypropylamino)-2-methylpropanoic acid?
The InChIKey is KYSSOIWMVUQVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-5(7(10)11)3-9-4-6(2)8(12)13/h5-6,9H,3-4H2,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 3-(2-carboxypropylamino)-2-methylpropanoic acid?
3-(2-carboxypropylamino)-2-methylpropanoic acid has a molecular weight of 189.21 g/mol, XLogP of 0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-carboxypropylamino)-2-methylpropanoic acid is sourced from PubChem (CID 13451328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).