4-[2-[cyclopropyl(methyl)amino]ethylamino]butanoic acid

C10H20N2O2 — CID 62977588

IUPAC4-[2-[cyclopropyl(methyl)amino]ethylamino]butanoic acid
SMILESCN(CCNCCCC(=O)O)C1CC1
InChIInChI=1S/C10H20N2O2/c1-12(9-4-5-9)8-7-11-6-2-3-10(13)14/h9,11H,2-8H2,1H3,(H,13,14)
InChIKeyWOXJKZNFAJGZMP-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.54
Rot. Bonds8

About 4-[2-[cyclopropyl(methyl)amino]ethylamino]butanoic acid

4-[2-[cyclopropyl(methyl)amino]ethylamino]butanoic acid (PubChem CID 62977588) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 4-[2-[cyclopropyl(methyl)amino]ethylamino]butanoic acid.

Molecular Properties

Compound Name4-[2-[cyclopropyl(methyl)amino]ethylamino]butanoic acid
PubChem CID62977588
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name4-[2-[cyclopropyl(methyl)amino]ethylamino]butanoic acid
SMILESCN(CCNCCCC(=O)O)C1CC1
InChIInChI=1S/C10H20N2O2/c1-12(9-4-5-9)8-7-11-6-2-3-10(13)14/h9,11H,2-8H2,1H3,(H,13,14)
InChIKeyWOXJKZNFAJGZMP-UHFFFAOYSA-N
XLogP0.54
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.54
H-Bond Donors ≤ 52
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 4-[2-[cyclopropyl(methyl)amino]ethylamino]butanoic acid?
The IUPAC name of 4-[2-[cyclopropyl(methyl)amino]ethylamino]butanoic acid (CID 62977588) is 4-[2-[cyclopropyl(methyl)amino]ethylamino]butanoic acid.
What is the SMILES notation for 4-[2-[cyclopropyl(methyl)amino]ethylamino]butanoic acid?
The canonical SMILES for 4-[2-[cyclopropyl(methyl)amino]ethylamino]butanoic acid is CN(CCNCCCC(=O)O)C1CC1.
What is the InChIKey of 4-[2-[cyclopropyl(methyl)amino]ethylamino]butanoic acid?
The InChIKey is WOXJKZNFAJGZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-12(9-4-5-9)8-7-11-6-2-3-10(13)14/h9,11H,2-8H2,1H3,(H,13,14).
What are the key properties of 4-[2-[cyclopropyl(methyl)amino]ethylamino]butanoic acid?
4-[2-[cyclopropyl(methyl)amino]ethylamino]butanoic acid has a molecular weight of 200.28 g/mol, XLogP of 0.54, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[cyclopropyl(methyl)amino]ethylamino]butanoic acid is sourced from PubChem (CID 62977588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).