3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-hydroxy-2-methylpropanoic acid

C10H20N2O3 — CID 104644439

IUPAC3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-hydroxy-2-methylpropanoic acid
SMILESCN(CCNCC(C)(O)C(=O)O)C1CC1
InChIInChI=1S/C10H20N2O3/c1-10(15,9(13)14)7-11-5-6-12(2)8-3-4-8/h8,11,15H,3-7H2,1-2H3,(H,13,14)
InChIKeyJYPMMESRXBTKDC-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.49
Rot. Bonds7

About 3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-hydroxy-2-methylpropanoic acid

3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 104644439) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-hydroxy-2-methylpropanoic acid
PubChem CID104644439
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-hydroxy-2-methylpropanoic acid
SMILESCN(CCNCC(C)(O)C(=O)O)C1CC1
InChIInChI=1S/C10H20N2O3/c1-10(15,9(13)14)7-11-5-6-12(2)8-3-4-8/h8,11,15H,3-7H2,1-2H3,(H,13,14)
InChIKeyJYPMMESRXBTKDC-UHFFFAOYSA-N
XLogP-0.49
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[cyclohexyl(methyl)amino]propylamino]-2-hydroxy-2-methylpropanoic acid
CID 104644040
4-[2-[cyclopropyl(methyl)amino]ethylamino]butanoic acid
CID 62977588
N'-cyclopentyl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine
CID 63318245
tert-butyl 2-[2-[cyclopropyl(methyl)amino]ethylamino]acetate
CID 62977597
N-cyclopropyl-2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-methylacetamide
CID 62976669
3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-methylpropanoic acid
CID 62977424
N'-cyclohexyl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine;hydrochloride
CID 115607501
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3,3-dimethylbutanamide
CID 76979692
3-[[3-(cyclopropylamino)-3-oxopropyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 104644717
2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl-ethylamino]-2-methylpropanoic acid
CID 62978545
3-[2-[cyclopentyl(methyl)amino]ethylamino]propanoic acid
CID 63317939
(2S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119863863

Frequently Asked Questions

What is the IUPAC name of 3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-hydroxy-2-methylpropanoic acid (CID 104644439) is 3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-hydroxy-2-methylpropanoic acid is CN(CCNCC(C)(O)C(=O)O)C1CC1.
What is the InChIKey of 3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is JYPMMESRXBTKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-10(15,9(13)14)7-11-5-6-12(2)8-3-4-8/h8,11,15H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-hydroxy-2-methylpropanoic acid?
3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 216.28 g/mol, XLogP of -0.49, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 104644439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).