4-[acetyl(methyl)amino]butanoic acid

C7H13NO3 — CID 19900399

IUPAC4-[acetyl(methyl)amino]butanoic acid
SMILESCC(=O)N(C)CCCC(=O)O
InChIInChI=1S/C7H13NO3/c1-6(9)8(2)5-3-4-7(10)11/h3-5H2,1-2H3,(H,10,11)
InChIKeyWTJQWZDNSPLETG-UHFFFAOYSA-N
MW159.19 g/mol
LogP0.33
Rot. Bonds4

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

4-[acetyl(methyl)amino]butanoic acid (PubChem CID 19900399) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 4-[acetyl(methyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[acetyl(methyl)amino]butanoic acid
PubChem CID19900399
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Name4-[acetyl(methyl)amino]butanoic acid
SMILESCC(=O)N(C)CCCC(=O)O
InChIInChI=1S/C7H13NO3/c1-6(9)8(2)5-3-4-7(10)11/h3-5H2,1-2H3,(H,10,11)
InChIKeyWTJQWZDNSPLETG-UHFFFAOYSA-N
XLogP0.33
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Acetamidobutyric acid
CID 18189
4-Trimethylammoniobutanoate
CID 134
4-Oxo-4-(pyrrolidin-1-yl)butanoic acid
CID 853808
N,N-Dimethylsuccinamic acid
CID 75717
4-(2-Oxopyrrolidin-1-yl)butanoic acid
CID 3146689
4-(Dimethylamino)butyric acid hydrochloride
CID 12691640
4-(Diethylamino)-4-oxobutanoic acid
CID 15205
Butyric acid, 4-(diethylamino)-
CID 44844
4-(Dimethylamino)butyric acid
CID 239820
3-(Dipropylcarbamoyl)propanoic acid
CID 16772313
3-[Methyl(propan-2-yl)carbamoyl]propanoic acid
CID 16787139
4-[(Methoxycarbonyl)(methyl)amino]butanoic acid
CID 18442970

Frequently Asked Questions

What is the IUPAC name of 4-[acetyl(methyl)amino]butanoic acid?
The IUPAC name of 4-[acetyl(methyl)amino]butanoic acid (CID 19900399) is 4-[acetyl(methyl)amino]butanoic acid.
What is the SMILES notation for 4-[acetyl(methyl)amino]butanoic acid?
The canonical SMILES for 4-[acetyl(methyl)amino]butanoic acid is CC(=O)N(C)CCCC(=O)O.
What is the InChIKey of 4-[acetyl(methyl)amino]butanoic acid?
The InChIKey is WTJQWZDNSPLETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-6(9)8(2)5-3-4-7(10)11/h3-5H2,1-2H3,(H,10,11).
What are the key properties of 4-[acetyl(methyl)amino]butanoic acid?
4-[acetyl(methyl)amino]butanoic acid has a molecular weight of 159.19 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[acetyl(methyl)amino]butanoic acid is sourced from PubChem (CID 19900399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).