5-[carboxy(methyl)amino]pentanoic acid

C7H13NO4 — CID 89340824

IUPAC5-[carboxy(methyl)amino]pentanoic acid
SMILESCN(CCCCC(=O)O)C(=O)O
InChIInChI=1S/C7H13NO4/c1-8(7(11)12)5-3-2-4-6(9)10/h2-5H2,1H3,(H,9,10)(H,11,12)
InChIKeyDOEWSCRLKGUTEM-UHFFFAOYSA-N
MW175.18 g/mol
LogP0.85
Rot. Bonds5

About 5-[carboxy(methyl)amino]pentanoic acid

5-[carboxy(methyl)amino]pentanoic acid (PubChem CID 89340824) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is 5-[carboxy(methyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-[carboxy(methyl)amino]pentanoic acid
PubChem CID89340824
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name5-[carboxy(methyl)amino]pentanoic acid
SMILESCN(CCCCC(=O)O)C(=O)O
InChIInChI=1S/C7H13NO4/c1-8(7(11)12)5-3-2-4-6(9)10/h2-5H2,1H3,(H,9,10)(H,11,12)
InChIKeyDOEWSCRLKGUTEM-UHFFFAOYSA-N
XLogP0.85
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

9-[dithiocarboxy(methyl)amino]nonanoic acid
CID 132584714
5-hydroxypentyl(methyl)carbamic acid
CID 90197062
hexadecyl(methyl)carbamic acid
CID 15173799
5-[methyl-(N'-methylcarbamimidoyl)amino]pentanoic acid
CID 89284302
10-[methyl(pentyl)amino]-10-oxodecanoic acid
CID 143390074
6-[butyl(methyl)amino]-6-oxohexanoic acid
CID 43447178
3-iodopropyl(methyl)carbamic acid
CID 21077788
4-[hydroxy(methyl)amino]butanoic acid
CID 130868262
8-[methyl-[4-(methylamino)butanoyl]amino]octanoic acid
CID 156569276
2-(dimethylamino)ethanol;hexanedioic acid
CID 159637742
4-[heptanoyl(methyl)amino]butanoic acid
CID 43172442
6-[2-(dimethylamino)ethyl-methylamino]-6-oxohexanoic acid
CID 63694639

Frequently Asked Questions

What is the IUPAC name of 5-[carboxy(methyl)amino]pentanoic acid?
The IUPAC name of 5-[carboxy(methyl)amino]pentanoic acid (CID 89340824) is 5-[carboxy(methyl)amino]pentanoic acid.
What is the SMILES notation for 5-[carboxy(methyl)amino]pentanoic acid?
The canonical SMILES for 5-[carboxy(methyl)amino]pentanoic acid is CN(CCCCC(=O)O)C(=O)O.
What is the InChIKey of 5-[carboxy(methyl)amino]pentanoic acid?
The InChIKey is DOEWSCRLKGUTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4/c1-8(7(11)12)5-3-2-4-6(9)10/h2-5H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 5-[carboxy(methyl)amino]pentanoic acid?
5-[carboxy(methyl)amino]pentanoic acid has a molecular weight of 175.18 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[carboxy(methyl)amino]pentanoic acid is sourced from PubChem (CID 89340824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).