4-[acetyl(ethyl)amino]butanoic acid

C8H15NO3 — CID 154939317

IUPAC4-[acetyl(ethyl)amino]butanoic acid
SMILESCCN(CCCC(=O)O)C(C)=O
InChIInChI=1S/C8H15NO3/c1-3-9(7(2)10)6-4-5-8(11)12/h3-6H2,1-2H3,(H,11,12)
InChIKeyPKYHBMINFSHMTB-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.72
Rot. Bonds5

About 4-[acetyl(ethyl)amino]butanoic acid

4-[acetyl(ethyl)amino]butanoic acid (PubChem CID 154939317) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 4-[acetyl(ethyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[acetyl(ethyl)amino]butanoic acid
PubChem CID154939317
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name4-[acetyl(ethyl)amino]butanoic acid
SMILESCCN(CCCC(=O)O)C(C)=O
InChIInChI=1S/C8H15NO3/c1-3-9(7(2)10)6-4-5-8(11)12/h3-6H2,1-2H3,(H,11,12)
InChIKeyPKYHBMINFSHMTB-UHFFFAOYSA-N
XLogP0.72
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Acetamidobutyric acid
CID 18189
4-Oxo-4-(pyrrolidin-1-yl)butanoic acid
CID 853808
N,N-Dimethylsuccinamic acid
CID 75717
4-(2,5-Dioxopyrrolidin-1-yl)butanoic acid
CID 303583
4-(2-Oxopyrrolidin-1-yl)butanoic acid
CID 3146689
4-(Diethylamino)-4-oxobutanoic acid
CID 15205
Butyric acid, 4-(diethylamino)-
CID 44844
4-(Dimethylamino)butyric acid
CID 239820
4-(Dipropylamino)butanoic acid hydrochloride
CID 49860448
4-(Diethylamino)butanoic acid hydrochloride
CID 13795539
3-(Dipropylcarbamoyl)propanoic acid
CID 16772313
3-[Methyl(propan-2-yl)carbamoyl]propanoic acid
CID 16787139

Frequently Asked Questions

What is the IUPAC name of 4-[acetyl(ethyl)amino]butanoic acid?
The IUPAC name of 4-[acetyl(ethyl)amino]butanoic acid (CID 154939317) is 4-[acetyl(ethyl)amino]butanoic acid.
What is the SMILES notation for 4-[acetyl(ethyl)amino]butanoic acid?
The canonical SMILES for 4-[acetyl(ethyl)amino]butanoic acid is CCN(CCCC(=O)O)C(C)=O.
What is the InChIKey of 4-[acetyl(ethyl)amino]butanoic acid?
The InChIKey is PKYHBMINFSHMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-3-9(7(2)10)6-4-5-8(11)12/h3-6H2,1-2H3,(H,11,12).
What are the key properties of 4-[acetyl(ethyl)amino]butanoic acid?
4-[acetyl(ethyl)amino]butanoic acid has a molecular weight of 173.21 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[acetyl(ethyl)amino]butanoic acid is sourced from PubChem (CID 154939317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).