2-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]propanoic acid

C12H25N3O2 — CID 63699458

IUPAC2-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]propanoic acid
SMILESCN(C)CCCN(C)CC(NC1CC1)C(=O)O
InChIInChI=1S/C12H25N3O2/c1-14(2)7-4-8-15(3)9-11(12(16)17)13-10-5-6-10/h10-11,13H,4-9H2,1-3H3,(H,16,17)
InChIKeyPMEHALOWWAKRIT-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.08
Rot. Bonds9

About 2-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]propanoic acid

2-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]propanoic acid (PubChem CID 63699458) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]propanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]propanoic acid
PubChem CID63699458
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]propanoic acid
SMILESCN(C)CCCN(C)CC(NC1CC1)C(=O)O
InChIInChI=1S/C12H25N3O2/c1-14(2)7-4-8-15(3)9-11(12(16)17)13-10-5-6-10/h10-11,13H,4-9H2,1-3H3,(H,16,17)
InChIKeyPMEHALOWWAKRIT-UHFFFAOYSA-N
XLogP0.08
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylamino)-3-[methyl(2-propan-2-yloxyethyl)amino]propanoic acid
CID 81062213
2-(cyclopropylamino)-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoic acid
CID 79315091
1-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]propan-2-ol
CID 63693072
N-cyclopropyl-N'-[3-(dimethylamino)propyl]-N',2-dimethylpropane-1,3-diamine
CID 63725312
4-[butan-2-yl(methyl)amino]-2-(cyclopropylamino)butanoic acid
CID 63027237
(2R)-2-(cyclopropylamino)-3-methylsulfanylpropanoic acid
CID 89492968
2-(cyclopropylamino)-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide
CID 81073752
2-(cyclopropylamino)heptanoic acid
CID 43754511
2-acetamido-3-[2-(dimethylamino)ethyl-methylamino]propanoic acid
CID 64583126
3-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)propanoic acid
CID 63699097
2-(cyclopropylamino)-4-[2-methylpropyl(propan-2-yl)amino]butanoic acid
CID 63053617
methyl 2-(cyclopropylamino)-4-[methyl(2-methylpropyl)amino]butanoate
CID 63028809

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]propanoic acid?
The IUPAC name of 2-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]propanoic acid (CID 63699458) is 2-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]propanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]propanoic acid?
The canonical SMILES for 2-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]propanoic acid is CN(C)CCCN(C)CC(NC1CC1)C(=O)O.
What is the InChIKey of 2-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]propanoic acid?
The InChIKey is PMEHALOWWAKRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-14(2)7-4-8-15(3)9-11(12(16)17)13-10-5-6-10/h10-11,13H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 2-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]propanoic acid?
2-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]propanoic acid has a molecular weight of 243.35 g/mol, XLogP of 0.08, 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-(dimethylamino)propyl-methylamino]propanoic acid is sourced from PubChem (CID 63699458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).