5-(carboxymethylamino)pentanoic acid

C7H13NO4 — CID 57053395

IUPAC5-(carboxymethylamino)pentanoic acid
SMILESO=C(O)CCCCNCC(=O)O
InChIInChI=1S/C7H13NO4/c9-6(10)3-1-2-4-8-5-7(11)12/h8H,1-5H2,(H,9,10)(H,11,12)
InChIKeyAQTQFDBJYMMSGQ-UHFFFAOYSA-N
MW175.18 g/mol
LogP-0.08
Rot. Bonds7

About 5-(carboxymethylamino)pentanoic acid

5-(carboxymethylamino)pentanoic acid (PubChem CID 57053395) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is 5-(carboxymethylamino)pentanoic acid.

Molecular Properties

Compound Name5-(carboxymethylamino)pentanoic acid
PubChem CID57053395
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name5-(carboxymethylamino)pentanoic acid
SMILESO=C(O)CCCCNCC(=O)O
InChIInChI=1S/C7H13NO4/c9-6(10)3-1-2-4-8-5-7(11)12/h8H,1-5H2,(H,9,10)(H,11,12)
InChIKeyAQTQFDBJYMMSGQ-UHFFFAOYSA-N
XLogP-0.08
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(carboxymethylamino)pentanoic acid?
The IUPAC name of 5-(carboxymethylamino)pentanoic acid (CID 57053395) is 5-(carboxymethylamino)pentanoic acid.
What is the SMILES notation for 5-(carboxymethylamino)pentanoic acid?
The canonical SMILES for 5-(carboxymethylamino)pentanoic acid is O=C(O)CCCCNCC(=O)O.
What is the InChIKey of 5-(carboxymethylamino)pentanoic acid?
The InChIKey is AQTQFDBJYMMSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4/c9-6(10)3-1-2-4-8-5-7(11)12/h8H,1-5H2,(H,9,10)(H,11,12).
What are the key properties of 5-(carboxymethylamino)pentanoic acid?
5-(carboxymethylamino)pentanoic acid has a molecular weight of 175.18 g/mol, XLogP of -0.08, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(carboxymethylamino)pentanoic acid is sourced from PubChem (CID 57053395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).