2-cyclopropyl-3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propylamino)propanoic acid

C15H30N2O3 — CID 81074286

IUPAC2-cyclopropyl-3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propylamino)propanoic acid
SMILESCCCNC(CN(C)CCOC(C)C)(C(=O)O)C1CC1
InChIInChI=1S/C15H30N2O3/c1-5-8-16-15(14(18)19,13-6-7-13)11-17(4)9-10-20-12(2)3/h12-13,16H,5-11H2,1-4H3,(H,18,19)
InChIKeyAITWFZKDIZWVPX-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.58
Rot. Bonds11

About 2-cyclopropyl-3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propylamino)propanoic acid

2-cyclopropyl-3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propylamino)propanoic acid (PubChem CID 81074286) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-cyclopropyl-3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propylamino)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propylamino)propanoic acid
PubChem CID81074286
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name2-cyclopropyl-3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propylamino)propanoic acid
SMILESCCCNC(CN(C)CCOC(C)C)(C(=O)O)C1CC1
InChIInChI=1S/C15H30N2O3/c1-5-8-16-15(14(18)19,13-6-7-13)11-17(4)9-10-20-12(2)3/h12-13,16H,5-11H2,1-4H3,(H,18,19)
InChIKeyAITWFZKDIZWVPX-UHFFFAOYSA-N
XLogP1.58
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-3-[1-methoxypropan-2-yl(methyl)amino]-2-(propylamino)propanoic acid
CID 63910353
2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]-2-(propylamino)propanoic acid
CID 63909146
2-cyclopropyl-3-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)propanoic acid
CID 82959915
2-cyclopropyl-3-[methyl(4-methylpentan-2-yl)amino]-2-(propylamino)propanoic acid
CID 63922289
ethyl 2-cyclopropyl-3-[2-ethoxyethyl(methyl)amino]-2-(propylamino)propanoate
CID 81043973
2-cyclopropyl-3-[2-ethoxyethyl(ethyl)amino]-2-(propylamino)propanoic acid
CID 63925030
2-cyclopropyl-3-[2,2-dimethylpropyl(methyl)amino]-2-(propylamino)propanamide
CID 63909203
3-butan-2-ylsulfanyl-2-cyclopropyl-2-(propylamino)propanoic acid
CID 63916296
ethyl 2-cyclopropyl-3-[2,2-dimethylpropyl(methyl)amino]-2-(propylamino)propanoate
CID 63911759
2,2-dimethyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanoic acid
CID 81057064
2-cyclopropyl-3-(N,4-dimethylanilino)-2-(propylamino)propanoic acid
CID 63927007
2-hydroxy-2-methyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanoic acid
CID 81056783

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propylamino)propanoic acid?
The IUPAC name of 2-cyclopropyl-3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propylamino)propanoic acid (CID 81074286) is 2-cyclopropyl-3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propylamino)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propylamino)propanoic acid?
The canonical SMILES for 2-cyclopropyl-3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propylamino)propanoic acid is CCCNC(CN(C)CCOC(C)C)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propylamino)propanoic acid?
The InChIKey is AITWFZKDIZWVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-5-8-16-15(14(18)19,13-6-7-13)11-17(4)9-10-20-12(2)3/h12-13,16H,5-11H2,1-4H3,(H,18,19).
What are the key properties of 2-cyclopropyl-3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propylamino)propanoic acid?
2-cyclopropyl-3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propylamino)propanoic acid has a molecular weight of 286.42 g/mol, XLogP of 1.58, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propylamino)propanoic acid is sourced from PubChem (CID 81074286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).