4-oxo-4-(propylamino)butanoic acid

C7H13NO3 — CID 4034758

IUPAC4-oxo-4-(propylamino)butanoic acid
SMILESCCCNC(=O)CCC(=O)O
InChIInChI=1S/C7H13NO3/c1-2-5-8-6(9)3-4-7(10)11/h2-5H2,1H3,(H,8,9)(H,10,11)
InChIKeyNYGTWXWGPWMMJX-UHFFFAOYSA-N
MW159.18 g/mol
LogP0.38
Rot. Bonds5

About 4-oxo-4-(propylamino)butanoic acid

4-oxo-4-(propylamino)butanoic acid (PubChem CID 4034758) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 4-oxo-4-(propylamino)butanoic acid.

Molecular Properties

Compound Name4-oxo-4-(propylamino)butanoic acid
PubChem CID4034758
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name4-oxo-4-(propylamino)butanoic acid
SMILESCCCNC(=O)CCC(=O)O
InChIInChI=1S/C7H13NO3/c1-2-5-8-6(9)3-4-7(10)11/h2-5H2,1H3,(H,8,9)(H,10,11)
InChIKeyNYGTWXWGPWMMJX-UHFFFAOYSA-N
XLogP0.38
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 18189
CID 18189
CID 68888
CID 68888
CID 292050
CID 292050
CID 70703
CID 70703
CID 6991994
CID 6991994
CID 15205
CID 15205
CID 12190925
CID 12190925
CID 90288
CID 90288
CID 99281
CID 99281
CID 245007
CID 245007
CID 454082
CID 454082
CID 14954082
CID 14954082

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-(propylamino)butanoic acid?
The IUPAC name of 4-oxo-4-(propylamino)butanoic acid (CID 4034758) is 4-oxo-4-(propylamino)butanoic acid.
What is the SMILES notation for 4-oxo-4-(propylamino)butanoic acid?
The canonical SMILES for 4-oxo-4-(propylamino)butanoic acid is CCCNC(=O)CCC(=O)O.
What is the InChIKey of 4-oxo-4-(propylamino)butanoic acid?
The InChIKey is NYGTWXWGPWMMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-2-5-8-6(9)3-4-7(10)11/h2-5H2,1H3,(H,8,9)(H,10,11).
What are the key properties of 4-oxo-4-(propylamino)butanoic acid?
4-oxo-4-(propylamino)butanoic acid has a molecular weight of 159.18 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-(propylamino)butanoic acid is sourced from PubChem (CID 4034758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).