2-cyclopropyl-3-[2-ethoxyethyl(ethyl)amino]-2-(propylamino)propanoic acid

C15H30N2O3 — CID 63925030

IUPAC2-cyclopropyl-3-[2-ethoxyethyl(ethyl)amino]-2-(propylamino)propanoic acid
SMILESCCCNC(CN(CC)CCOCC)(C(=O)O)C1CC1
InChIInChI=1S/C15H30N2O3/c1-4-9-16-15(14(18)19,13-7-8-13)12-17(5-2)10-11-20-6-3/h13,16H,4-12H2,1-3H3,(H,18,19)
InChIKeyKMZFMHSIYVDSSV-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.58
Rot. Bonds12

About 2-cyclopropyl-3-[2-ethoxyethyl(ethyl)amino]-2-(propylamino)propanoic acid

2-cyclopropyl-3-[2-ethoxyethyl(ethyl)amino]-2-(propylamino)propanoic acid (PubChem CID 63925030) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-cyclopropyl-3-[2-ethoxyethyl(ethyl)amino]-2-(propylamino)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-[2-ethoxyethyl(ethyl)amino]-2-(propylamino)propanoic acid
PubChem CID63925030
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name2-cyclopropyl-3-[2-ethoxyethyl(ethyl)amino]-2-(propylamino)propanoic acid
SMILESCCCNC(CN(CC)CCOCC)(C(=O)O)C1CC1
InChIInChI=1S/C15H30N2O3/c1-4-9-16-15(14(18)19,13-7-8-13)12-17(5-2)10-11-20-6-3/h13,16H,4-12H2,1-3H3,(H,18,19)
InChIKeyKMZFMHSIYVDSSV-UHFFFAOYSA-N
XLogP1.58
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
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

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-3-[2-ethoxyethyl(ethyl)amino]-2-(ethylamino)propanamide
CID 63925029
2-cyclopropyl-3-[ethyl(2-methoxyethyl)amino]-2-(propylamino)propanamide
CID 63911750
methyl 3-[butyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propanoate
CID 63906340
ethyl 2-cyclopropyl-3-[2-ethoxyethyl(methyl)amino]-2-(propylamino)propanoate
CID 81043973
2-cyclopropyl-3-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)propanoic acid
CID 82959915
2-cyclopropyl-3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propylamino)propanoic acid
CID 81074286
2-cyclopropyl-3-[1-methoxypropan-2-yl(methyl)amino]-2-(propylamino)propanoic acid
CID 63910353
2-amino-2-cyclopropyl-3-[2-ethoxyethyl(ethyl)amino]propanamide
CID 63928069
methyl 2-cyclopropyl-3-[cyclopropylmethyl(ethyl)amino]-2-(propylamino)propanoate
CID 63956079
5-[2-ethoxyethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 63690528
2-cyclopropyl-2-(ethylamino)-3-[ethyl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 63910540
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-ethoxyethyl(ethyl)amino]-2-(propylamino)propanoic acid?
The IUPAC name of 2-cyclopropyl-3-[2-ethoxyethyl(ethyl)amino]-2-(propylamino)propanoic acid (CID 63925030) is 2-cyclopropyl-3-[2-ethoxyethyl(ethyl)amino]-2-(propylamino)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-3-[2-ethoxyethyl(ethyl)amino]-2-(propylamino)propanoic acid?
The canonical SMILES for 2-cyclopropyl-3-[2-ethoxyethyl(ethyl)amino]-2-(propylamino)propanoic acid is CCCNC(CN(CC)CCOCC)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-[2-ethoxyethyl(ethyl)amino]-2-(propylamino)propanoic acid?
The InChIKey is KMZFMHSIYVDSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-4-9-16-15(14(18)19,13-7-8-13)12-17(5-2)10-11-20-6-3/h13,16H,4-12H2,1-3H3,(H,18,19).
What are the key properties of 2-cyclopropyl-3-[2-ethoxyethyl(ethyl)amino]-2-(propylamino)propanoic acid?
2-cyclopropyl-3-[2-ethoxyethyl(ethyl)amino]-2-(propylamino)propanoic acid has a molecular weight of 286.42 g/mol, XLogP of 1.58, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[2-ethoxyethyl(ethyl)amino]-2-(propylamino)propanoic acid is sourced from PubChem (CID 63925030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).