3-(propylcarbamoylamino)propanoic acid

C7H14N2O3 — CID 16785961

IUPAC3-(propylcarbamoylamino)propanoic acid
SMILESCCCNC(=O)NCCC(=O)O
InChIInChI=1S/C7H14N2O3/c1-2-4-8-7(12)9-5-3-6(10)11/h2-5H2,1H3,(H,10,11)(H2,8,9,12)
InChIKeyZZDOREQUYGAXJI-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.17
Rot. Bonds5

About 3-(propylcarbamoylamino)propanoic acid

3-(propylcarbamoylamino)propanoic acid (PubChem CID 16785961) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is 3-(propylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name3-(propylcarbamoylamino)propanoic acid
PubChem CID16785961
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name3-(propylcarbamoylamino)propanoic acid
SMILESCCCNC(=O)NCCC(=O)O
InChIInChI=1S/C7H14N2O3/c1-2-4-8-7(12)9-5-3-6(10)11/h2-5H2,1H3,(H,10,11)(H2,8,9,12)
InChIKeyZZDOREQUYGAXJI-UHFFFAOYSA-N
XLogP0.17
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(propylcarbamoylamino)propanoic acid?
The IUPAC name of 3-(propylcarbamoylamino)propanoic acid (CID 16785961) is 3-(propylcarbamoylamino)propanoic acid.
What is the SMILES notation for 3-(propylcarbamoylamino)propanoic acid?
The canonical SMILES for 3-(propylcarbamoylamino)propanoic acid is CCCNC(=O)NCCC(=O)O.
What is the InChIKey of 3-(propylcarbamoylamino)propanoic acid?
The InChIKey is ZZDOREQUYGAXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-2-4-8-7(12)9-5-3-6(10)11/h2-5H2,1H3,(H,10,11)(H2,8,9,12).
What are the key properties of 3-(propylcarbamoylamino)propanoic acid?
3-(propylcarbamoylamino)propanoic acid has a molecular weight of 174.20 g/mol, XLogP of 0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propylcarbamoylamino)propanoic acid is sourced from PubChem (CID 16785961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).