4-[carboxy(methyl)amino]butanoic acid

C6H11NO4 — CID 122599761

IUPAC4-[carboxy(methyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)O
InChIInChI=1S/C6H11NO4/c1-7(6(10)11)4-2-3-5(8)9/h2-4H2,1H3,(H,8,9)(H,10,11)
InChIKeyQEYJZMNUXVOTMQ-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.46
Rot. Bonds4

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

4-[carboxy(methyl)amino]butanoic acid (PubChem CID 122599761) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is 4-[carboxy(methyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[carboxy(methyl)amino]butanoic acid
PubChem CID122599761
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name4-[carboxy(methyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)O
InChIInChI=1S/C6H11NO4/c1-7(6(10)11)4-2-3-5(8)9/h2-4H2,1H3,(H,8,9)(H,10,11)
InChIKeyQEYJZMNUXVOTMQ-UHFFFAOYSA-N
XLogP0.46
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Trimethylammoniobutanoate
CID 134
(3-Carboxypropyl)trimethylammonium chloride
CID 22620
N,N-Dimethylsuccinamic acid
CID 75717
4-(Dimethylamino)butyric acid hydrochloride
CID 12691640
4-(Diethylamino)-4-oxobutanoic acid
CID 15205
4-(Dimethylamino)butyric acid
CID 239820
4-{[(Tert-butoxy)carbonyl](methyl)amino}butanoic acid
CID 10656390
4-[(Methoxycarbonyl)(methyl)amino]butanoic acid
CID 18442970
4-[Acetyl(hydroxy)amino]butanoic acid
CID 56666828
4-[3-Carboxypropyl(methyl)amino]butanoic acid
CID 20818054
4-(Dimethylamino)-2-fluorobutanoic acid
CID 84020804
(2R)-4-(dimethylamino)-2-fluorobutanoic acid
CID 124151568

Frequently Asked Questions

What is the IUPAC name of 4-[carboxy(methyl)amino]butanoic acid?
The IUPAC name of 4-[carboxy(methyl)amino]butanoic acid (CID 122599761) is 4-[carboxy(methyl)amino]butanoic acid.
What is the SMILES notation for 4-[carboxy(methyl)amino]butanoic acid?
The canonical SMILES for 4-[carboxy(methyl)amino]butanoic acid is CN(CCCC(=O)O)C(=O)O.
What is the InChIKey of 4-[carboxy(methyl)amino]butanoic acid?
The InChIKey is QEYJZMNUXVOTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4/c1-7(6(10)11)4-2-3-5(8)9/h2-4H2,1H3,(H,8,9)(H,10,11).
What are the key properties of 4-[carboxy(methyl)amino]butanoic acid?
4-[carboxy(methyl)amino]butanoic acid has a molecular weight of 161.16 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[carboxy(methyl)amino]butanoic acid is sourced from PubChem (CID 122599761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).