3-(2-methylpropylcarbamoylamino)propanoic acid

C8H16N2O3 — CID 16783547

IUPAC3-(2-methylpropylcarbamoylamino)propanoic acid
SMILESCC(C)CNC(=O)NCCC(=O)O
InChIInChI=1S/C8H16N2O3/c1-6(2)5-10-8(13)9-4-3-7(11)12/h6H,3-5H2,1-2H3,(H,11,12)(H2,9,10,13)
InChIKeyIMJOXWKNBWGTNC-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.42
Rot. Bonds5

About 3-(2-methylpropylcarbamoylamino)propanoic acid

3-(2-methylpropylcarbamoylamino)propanoic acid (PubChem CID 16783547) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-(2-methylpropylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name3-(2-methylpropylcarbamoylamino)propanoic acid
PubChem CID16783547
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name3-(2-methylpropylcarbamoylamino)propanoic acid
SMILESCC(C)CNC(=O)NCCC(=O)O
InChIInChI=1S/C8H16N2O3/c1-6(2)5-10-8(13)9-4-3-7(11)12/h6H,3-5H2,1-2H3,(H,11,12)(H2,9,10,13)
InChIKeyIMJOXWKNBWGTNC-UHFFFAOYSA-N
XLogP0.42
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropylcarbamoylamino)propanoic acid?
The IUPAC name of 3-(2-methylpropylcarbamoylamino)propanoic acid (CID 16783547) is 3-(2-methylpropylcarbamoylamino)propanoic acid.
What is the SMILES notation for 3-(2-methylpropylcarbamoylamino)propanoic acid?
The canonical SMILES for 3-(2-methylpropylcarbamoylamino)propanoic acid is CC(C)CNC(=O)NCCC(=O)O.
What is the InChIKey of 3-(2-methylpropylcarbamoylamino)propanoic acid?
The InChIKey is IMJOXWKNBWGTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-6(2)5-10-8(13)9-4-3-7(11)12/h6H,3-5H2,1-2H3,(H,11,12)(H2,9,10,13).
What are the key properties of 3-(2-methylpropylcarbamoylamino)propanoic acid?
3-(2-methylpropylcarbamoylamino)propanoic acid has a molecular weight of 188.23 g/mol, XLogP of 0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropylcarbamoylamino)propanoic acid is sourced from PubChem (CID 16783547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).