ethyl 2-[cyclopropyl-[1-oxo-1-(pentylamino)propan-2-yl]amino]acetate

C15H28N2O3 — CID 62027223

IUPACethyl 2-[cyclopropyl-[1-oxo-1-(pentylamino)propan-2-yl]amino]acetate
SMILESCCCCCNC(=O)C(C)N(CC(=O)OCC)C1CC1
InChIInChI=1S/C15H28N2O3/c1-4-6-7-10-16-15(19)12(3)17(13-8-9-13)11-14(18)20-5-2/h12-13H,4-11H2,1-3H3,(H,16,19)
InChIKeyGLGAUWGWIFMXNR-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.71
Rot. Bonds10

About ethyl 2-[cyclopropyl-[1-oxo-1-(pentylamino)propan-2-yl]amino]acetate

ethyl 2-[cyclopropyl-[1-oxo-1-(pentylamino)propan-2-yl]amino]acetate (PubChem CID 62027223) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl-[1-oxo-1-(pentylamino)propan-2-yl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl-[1-oxo-1-(pentylamino)propan-2-yl]amino]acetate
PubChem CID62027223
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nameethyl 2-[cyclopropyl-[1-oxo-1-(pentylamino)propan-2-yl]amino]acetate
SMILESCCCCCNC(=O)C(C)N(CC(=O)OCC)C1CC1
InChIInChI=1S/C15H28N2O3/c1-4-6-7-10-16-15(19)12(3)17(13-8-9-13)11-14(18)20-5-2/h12-13H,4-11H2,1-3H3,(H,16,19)
InChIKeyGLGAUWGWIFMXNR-UHFFFAOYSA-N
XLogP1.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[[1-oxo-1-(pentylamino)propan-2-yl]-propylamino]acetate
CID 62026570
2-[cyclopentyl(2-hydroxyethyl)amino]-N-pentylpropanamide
CID 62016618
2-[cyclobutyl(3-hydroxypropyl)amino]-N-pentylpropanamide
CID 102858511
ethyl 2-[[1-(butylamino)-1-oxopropan-2-yl]-propylamino]acetate
CID 62026762
ethyl 2-[cyclopropyl-(1-morpholin-4-yl-1-oxopropan-2-yl)amino]acetate
CID 62026853
2-[ethyl(piperidin-3-yl)amino]-N-pentylpropanamide
CID 63638698
2-[(4-aminocyclohexyl)-propylamino]-N-propylpropanamide
CID 79112238
2-[cyclopropyl-[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 54945162
3-[[4-[bis[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]cyclohexyl]-[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]-N-dodecyl-2-hydroxypropanamide
CID 176741173
2-[3-aminopropyl(cyclopentyl)amino]-N-propylpropanamide
CID 43137600
2-[3-aminopropyl(cyclopropyl)amino]-N-(2-methoxyethyl)propanamide
CID 43137532
(2S)-2-amino-3-methyl-N-pentylpentanamide
CID 22690936

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl-[1-oxo-1-(pentylamino)propan-2-yl]amino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl-[1-oxo-1-(pentylamino)propan-2-yl]amino]acetate (CID 62027223) is ethyl 2-[cyclopropyl-[1-oxo-1-(pentylamino)propan-2-yl]amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl-[1-oxo-1-(pentylamino)propan-2-yl]amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl-[1-oxo-1-(pentylamino)propan-2-yl]amino]acetate is CCCCCNC(=O)C(C)N(CC(=O)OCC)C1CC1.
What is the InChIKey of ethyl 2-[cyclopropyl-[1-oxo-1-(pentylamino)propan-2-yl]amino]acetate?
The InChIKey is GLGAUWGWIFMXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-6-7-10-16-15(19)12(3)17(13-8-9-13)11-14(18)20-5-2/h12-13H,4-11H2,1-3H3,(H,16,19).
What are the key properties of ethyl 2-[cyclopropyl-[1-oxo-1-(pentylamino)propan-2-yl]amino]acetate?
ethyl 2-[cyclopropyl-[1-oxo-1-(pentylamino)propan-2-yl]amino]acetate has a molecular weight of 284.40 g/mol, XLogP of 1.71, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl-[1-oxo-1-(pentylamino)propan-2-yl]amino]acetate is sourced from PubChem (CID 62027223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).