2-cyclopropyl-3-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)propanoic acid

C15H30N2O3 — CID 82959915

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

About 2-cyclopropyl-3-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)propanoic acid

2-cyclopropyl-3-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)propanoic acid (PubChem CID 82959915) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-cyclopropyl-3-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)propanoic acid
PubChem CID82959915
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name2-cyclopropyl-3-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)propanoic acid
SMILESCCCNC(CN(CCOC)C(C)C)(C(=O)O)C1CC1
InChIInChI=1S/C15H30N2O3/c1-5-8-16-15(14(18)19,13-6-7-13)11-17(12(2)3)9-10-20-4/h12-13,16H,5-11H2,1-4H3,(H,18,19)
InChIKeyIYOANBSSDKKZPD-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
ethyl 2-cyclopropyl-2-(ethylamino)-3-[2-methoxyethyl(propan-2-yl)amino]propanoate
CID 82942442
2-cyclopropyl-3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propylamino)propanoic acid
CID 81074286
2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]-2-(propylamino)propanoic acid
CID 63909146
2-cyclopropyl-3-[methyl(4-methylpentan-2-yl)amino]-2-(propylamino)propanoic acid
CID 63922289
2-cyclopropyl-3-[2-ethoxyethyl(ethyl)amino]-2-(propylamino)propanoic acid
CID 63925030
2-cyclopropyl-3-[ethyl(2-methoxyethyl)amino]-2-(propylamino)propanamide
CID 63911750
3-butan-2-ylsulfanyl-2-cyclopropyl-2-(propylamino)propanoic acid
CID 63916296
methyl 3-[butan-2-yl(2-methoxyethyl)amino]-2-cyclopropyl-2-(methylamino)propanoate
CID 63910377
2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propylamino)propanoic acid
CID 82007448
2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)propanoic acid
CID 63909168
2-cyclopropyl-3-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)propanoic acid
CID 64521042

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)propanoic acid?
The IUPAC name of 2-cyclopropyl-3-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)propanoic acid (CID 82959915) is 2-cyclopropyl-3-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-3-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)propanoic acid?
The canonical SMILES for 2-cyclopropyl-3-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)propanoic acid is CCCNC(CN(CCOC)C(C)C)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)propanoic acid?
The InChIKey is IYOANBSSDKKZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-5-8-16-15(14(18)19,13-6-7-13)11-17(12(2)3)9-10-20-4/h12-13,16H,5-11H2,1-4H3,(H,18,19).
What are the key properties of 2-cyclopropyl-3-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)propanoic acid?
2-cyclopropyl-3-[2-methoxyethyl(propan-2-yl)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-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)propanoic acid is sourced from PubChem (CID 82959915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).