2-(cyclopropylamino)-3-[3-methoxypropyl(methyl)amino]-2-methylpropanoic acid

C12H24N2O3 — CID 55141472

IUPAC2-(cyclopropylamino)-3-[3-methoxypropyl(methyl)amino]-2-methylpropanoic acid
SMILESCOCCCN(C)CC(C)(NC1CC1)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-12(11(15)16,13-10-5-6-10)9-14(2)7-4-8-17-3/h10,13H,4-9H2,1-3H3,(H,15,16)
InChIKeyRERLDHTVVYACNR-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.55
Rot. Bonds9

About 2-(cyclopropylamino)-3-[3-methoxypropyl(methyl)amino]-2-methylpropanoic acid

2-(cyclopropylamino)-3-[3-methoxypropyl(methyl)amino]-2-methylpropanoic acid (PubChem CID 55141472) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-[3-methoxypropyl(methyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-[3-methoxypropyl(methyl)amino]-2-methylpropanoic acid
PubChem CID55141472
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-(cyclopropylamino)-3-[3-methoxypropyl(methyl)amino]-2-methylpropanoic acid
SMILESCOCCCN(C)CC(C)(NC1CC1)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-12(11(15)16,13-10-5-6-10)9-14(2)7-4-8-17-3/h10,13H,4-9H2,1-3H3,(H,15,16)
InChIKeyRERLDHTVVYACNR-UHFFFAOYSA-N
XLogP0.55
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropylamino)-2-ethyl-5-[3-methoxypropyl(methyl)amino]pentanoic acid
CID 106806182
methyl 2-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]-2-methylpropanoate
CID 55226592
3-[3-methoxypropyl(methyl)amino]-2,2-dimethylpropanoic acid
CID 63008833
4-[3-methoxypropyl(methyl)amino]-2-methyl-2-(methylamino)butanoic acid
CID 63009891
2-(cyclopropylamino)-4-[ethyl(2-methoxyethyl)amino]-2-methylpentanoic acid
CID 64710862
2-(cyclopropylamino)-2-methyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentanoic acid
CID 79309267
methyl 2-(cyclopropylamino)-5-[2-ethoxyethyl(methyl)amino]-2-methylpentanoate
CID 81061381
2-amino-2-cyclopropyl-3-[3-methoxypropyl(methyl)amino]propanamide
CID 63925804
6-[3-methoxypropyl(methyl)amino]-2,2-dimethylhexanoic acid
CID 106714036
4-[cyclopentylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylbutanoic acid
CID 55249059
methyl 3-[cyclobutylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylpropanoate
CID 62861732
methyl 2-(cyclopropylamino)-4-[3-(2-methoxyethoxy)propoxy]-2-methylbutanoate
CID 103404585

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-[3-methoxypropyl(methyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-(cyclopropylamino)-3-[3-methoxypropyl(methyl)amino]-2-methylpropanoic acid (CID 55141472) is 2-(cyclopropylamino)-3-[3-methoxypropyl(methyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-3-[3-methoxypropyl(methyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-(cyclopropylamino)-3-[3-methoxypropyl(methyl)amino]-2-methylpropanoic acid is COCCCN(C)CC(C)(NC1CC1)C(=O)O.
What is the InChIKey of 2-(cyclopropylamino)-3-[3-methoxypropyl(methyl)amino]-2-methylpropanoic acid?
The InChIKey is RERLDHTVVYACNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-12(11(15)16,13-10-5-6-10)9-14(2)7-4-8-17-3/h10,13H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 2-(cyclopropylamino)-3-[3-methoxypropyl(methyl)amino]-2-methylpropanoic acid?
2-(cyclopropylamino)-3-[3-methoxypropyl(methyl)amino]-2-methylpropanoic acid has a molecular weight of 244.33 g/mol, XLogP of 0.55, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3-[3-methoxypropyl(methyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 55141472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).