3-[[2-methylpropyl(propan-2-yl)carbamoyl]amino]propanoic acid

C11H22N2O3 — CID 23588192

IUPAC3-[[2-methylpropyl(propan-2-yl)carbamoyl]amino]propanoic acid
SMILESCC(C)CN(C(=O)NCCC(=O)O)C(C)C
InChIInChI=1S/C11H22N2O3/c1-8(2)7-13(9(3)4)11(16)12-6-5-10(14)15/h8-9H,5-7H2,1-4H3,(H,12,16)(H,14,15)
InChIKeyFQIOEELQXQQJMP-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.54
Rot. Bonds6

About 3-[[2-methylpropyl(propan-2-yl)carbamoyl]amino]propanoic acid

3-[[2-methylpropyl(propan-2-yl)carbamoyl]amino]propanoic acid (PubChem CID 23588192) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-[[2-methylpropyl(propan-2-yl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-methylpropyl(propan-2-yl)carbamoyl]amino]propanoic acid
PubChem CID23588192
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name3-[[2-methylpropyl(propan-2-yl)carbamoyl]amino]propanoic acid
SMILESCC(C)CN(C(=O)NCCC(=O)O)C(C)C
InChIInChI=1S/C11H22N2O3/c1-8(2)7-13(9(3)4)11(16)12-6-5-10(14)15/h8-9H,5-7H2,1-4H3,(H,12,16)(H,14,15)
InChIKeyFQIOEELQXQQJMP-UHFFFAOYSA-N
XLogP1.54
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-methylpropyl(propan-2-yl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-[[2-methylpropyl(propan-2-yl)carbamoyl]amino]propanoic acid (CID 23588192) is 3-[[2-methylpropyl(propan-2-yl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[[2-methylpropyl(propan-2-yl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[[2-methylpropyl(propan-2-yl)carbamoyl]amino]propanoic acid is CC(C)CN(C(=O)NCCC(=O)O)C(C)C.
What is the InChIKey of 3-[[2-methylpropyl(propan-2-yl)carbamoyl]amino]propanoic acid?
The InChIKey is FQIOEELQXQQJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-8(2)7-13(9(3)4)11(16)12-6-5-10(14)15/h8-9H,5-7H2,1-4H3,(H,12,16)(H,14,15).
What are the key properties of 3-[[2-methylpropyl(propan-2-yl)carbamoyl]amino]propanoic acid?
3-[[2-methylpropyl(propan-2-yl)carbamoyl]amino]propanoic acid has a molecular weight of 230.31 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-methylpropyl(propan-2-yl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 23588192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).