ethyl 2-[3-(cyclopentanecarbonylamino)butanoyl-propylamino]acetate

C17H30N2O4 — CID 71879865

IUPACethyl 2-[3-(cyclopentanecarbonylamino)butanoyl-propylamino]acetate
SMILESCCCN(CC(=O)OCC)C(=O)CC(C)NC(=O)C1CCCC1
InChIInChI=1S/C17H30N2O4/c1-4-10-19(12-16(21)23-5-2)15(20)11-13(3)18-17(22)14-8-6-7-9-14/h13-14H,4-12H2,1-3H3,(H,18,22)
InChIKeyUAHRTAXRGIPXBG-UHFFFAOYSA-N
MW326.44 g/mol
LogP1.87
Rot. Bonds9

About ethyl 2-[3-(cyclopentanecarbonylamino)butanoyl-propylamino]acetate

ethyl 2-[3-(cyclopentanecarbonylamino)butanoyl-propylamino]acetate (PubChem CID 71879865) has the molecular formula C17H30N2O4 and a molecular weight of 326.44 g/mol. Its IUPAC name is ethyl 2-[3-(cyclopentanecarbonylamino)butanoyl-propylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(cyclopentanecarbonylamino)butanoyl-propylamino]acetate
PubChem CID71879865
Molecular FormulaC17H30N2O4
Molecular Weight326.44 g/mol
Exact Mass326.22
IUPAC Nameethyl 2-[3-(cyclopentanecarbonylamino)butanoyl-propylamino]acetate
SMILESCCCN(CC(=O)OCC)C(=O)CC(C)NC(=O)C1CCCC1
InChIInChI=1S/C17H30N2O4/c1-4-10-19(12-16(21)23-5-2)15(20)11-13(3)18-17(22)14-8-6-7-9-14/h13-14H,4-12H2,1-3H3,(H,18,22)
InChIKeyUAHRTAXRGIPXBG-UHFFFAOYSA-N
XLogP1.87
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(2-cyclopentylacetyl)-propylamino]acetate
CID 54899097
N-[4-oxo-4-[propyl(pyrrolidin-3-yl)amino]butan-2-yl]cyclopentanecarboxamide;hydrochloride
CID 119532690
but-3-ynyl (3S)-3-(cyclopentanecarbonylamino)butanoate
CID 95168352
methyl 2-[3-aminobutanoyl(propyl)amino]acetate
CID 60946687
N-[(2R)-4-[benzyl(ethyl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 95322825
N-pentan-2-ylcyclohexanecarboxamide
CID 19916603
(3R)-3-(cyclohexanecarbonylamino)butanoic acid
CID 51885508
ethyl 2-[(4-methylcyclohexanecarbonyl)-propylamino]acetate
CID 79005878
methyl (3S)-3-[[(3R)-3-(cyclopentanecarbonylamino)butanoyl]amino]butanoate
CID 95609074
(3R)-1-[(2-ethoxy-2-oxoethyl)-propylcarbamoyl]piperidine-3-carboxylic acid
CID 81119933
ethyl 2-[bicyclo[3.1.0]hexane-6-carbonyl(propyl)amino]acetate
CID 79796106
5-[(2-methoxy-2-oxoethyl)-propylamino]-3-methyl-5-oxopentanoic acid
CID 62964741

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(cyclopentanecarbonylamino)butanoyl-propylamino]acetate?
The IUPAC name of ethyl 2-[3-(cyclopentanecarbonylamino)butanoyl-propylamino]acetate (CID 71879865) is ethyl 2-[3-(cyclopentanecarbonylamino)butanoyl-propylamino]acetate.
What is the SMILES notation for ethyl 2-[3-(cyclopentanecarbonylamino)butanoyl-propylamino]acetate?
The canonical SMILES for ethyl 2-[3-(cyclopentanecarbonylamino)butanoyl-propylamino]acetate is CCCN(CC(=O)OCC)C(=O)CC(C)NC(=O)C1CCCC1.
What is the InChIKey of ethyl 2-[3-(cyclopentanecarbonylamino)butanoyl-propylamino]acetate?
The InChIKey is UAHRTAXRGIPXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O4/c1-4-10-19(12-16(21)23-5-2)15(20)11-13(3)18-17(22)14-8-6-7-9-14/h13-14H,4-12H2,1-3H3,(H,18,22).
What are the key properties of ethyl 2-[3-(cyclopentanecarbonylamino)butanoyl-propylamino]acetate?
ethyl 2-[3-(cyclopentanecarbonylamino)butanoyl-propylamino]acetate has a molecular weight of 326.44 g/mol, XLogP of 1.87, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(cyclopentanecarbonylamino)butanoyl-propylamino]acetate is sourced from PubChem (CID 71879865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).