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

C10H20N2O2 — CID 62977424

IUPAC3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-methylpropanoic acid
SMILESCC(CNCCN(C)C1CC1)C(=O)O
InChIInChI=1S/C10H20N2O2/c1-8(10(13)14)7-11-5-6-12(2)9-3-4-9/h8-9,11H,3-7H2,1-2H3,(H,13,14)
InChIKeyLJINNCQZUKANDO-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.39
Rot. Bonds7

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

3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-methylpropanoic acid (PubChem CID 62977424) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-methylpropanoic acid
PubChem CID62977424
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-methylpropanoic acid
SMILESCC(CNCCN(C)C1CC1)C(=O)O
InChIInChI=1S/C10H20N2O2/c1-8(10(13)14)7-11-5-6-12(2)9-3-4-9/h8-9,11H,3-7H2,1-2H3,(H,13,14)
InChIKeyLJINNCQZUKANDO-UHFFFAOYSA-N
XLogP0.39
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.39
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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Related Compounds

methyl 3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-methylpropanoate
CID 62977248
3-[2-[di(propan-2-yl)amino]ethylamino]-2-methylpropanoic acid
CID 43538375
3-[cyclopropyl(methyl)amino]-2-methylpropanoic acid
CID 43538764
methyl 3-[3-[cyclohexyl(methyl)amino]propylamino]-2-methylpropanoate
CID 54880256
4-[2-[cyclopropyl(methyl)amino]ethylamino]butanoic acid
CID 62977588
propan-2-yl 2-[2-[cyclopropyl(methyl)amino]ethylamino]acetate
CID 62976857
2-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]-4-methylpentanoic acid
CID 62978014
N'-cyclohexyl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62425000
N-cyclopropyl-2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-methylacetamide
CID 62976669
methyl 3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-phenylpropanoate
CID 64559421
2-[2-[cyclopropyl(methyl)amino]ethylamino]-3-methoxypropanoic acid
CID 103250208
1-[2-[cyclopropyl(methyl)amino]ethylamino]-3-propan-2-yloxypropan-2-ol
CID 62977059

Frequently Asked Questions

What is the IUPAC name of 3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-methylpropanoic acid (CID 62977424) is 3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-methylpropanoic acid is CC(CNCCN(C)C1CC1)C(=O)O.
What is the InChIKey of 3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-methylpropanoic acid?
The InChIKey is LJINNCQZUKANDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8(10(13)14)7-11-5-6-12(2)9-3-4-9/h8-9,11H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-methylpropanoic acid?
3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-methylpropanoic acid has a molecular weight of 200.28 g/mol, XLogP of 0.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[cyclopropyl(methyl)amino]ethylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62977424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).