ethyl 4-[[2-(cyclopentylamino)-2-oxoethyl]amino]butanoate

C13H24N2O3 — CID 60648375

IUPACethyl 4-[[2-(cyclopentylamino)-2-oxoethyl]amino]butanoate
SMILESCCOC(=O)CCCNCC(=O)NC1CCCC1
InChIInChI=1S/C13H24N2O3/c1-2-18-13(17)8-5-9-14-10-12(16)15-11-6-3-4-7-11/h11,14H,2-10H2,1H3,(H,15,16)
InChIKeyLHXGERISHALTOW-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.98
Rot. Bonds8

About ethyl 4-[[2-(cyclopentylamino)-2-oxoethyl]amino]butanoate

ethyl 4-[[2-(cyclopentylamino)-2-oxoethyl]amino]butanoate (PubChem CID 60648375) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is ethyl 4-[[2-(cyclopentylamino)-2-oxoethyl]amino]butanoate.

Molecular Properties

Compound Nameethyl 4-[[2-(cyclopentylamino)-2-oxoethyl]amino]butanoate
PubChem CID60648375
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Nameethyl 4-[[2-(cyclopentylamino)-2-oxoethyl]amino]butanoate
SMILESCCOC(=O)CCCNCC(=O)NC1CCCC1
InChIInChI=1S/C13H24N2O3/c1-2-18-13(17)8-5-9-14-10-12(16)15-11-6-3-4-7-11/h11,14H,2-10H2,1H3,(H,15,16)
InChIKeyLHXGERISHALTOW-UHFFFAOYSA-N
XLogP0.98
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.98
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

ethyl 4-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]butanoate
CID 60661333
ethyl 3-[[4-(cyclopropylamino)-4-oxobutyl]amino]propanoate
CID 79393885
ethyl 4-(cyclopentylcarbamothioylamino)butanoate
CID 116508955
N-cyclohexyl-2-(hexadecylamino)acetamide
CID 54808904
2-(3-butoxypropylamino)-N-cycloheptylacetamide
CID 115571481
N-cyclohexyl-2-(3-methoxypropylamino)acetamide
CID 43089974
ethyl 4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoate
CID 60671852
4-[[2-(cyclopropylamino)-2-oxoethyl]amino]butanoic acid
CID 43473310
ethyl 4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]butanoate
CID 60687916
3-[[2-(cyclohexylamino)-2-oxoethyl]amino]propanamide
CID 43553526
ethyl 4-[[2-(2-acetamidoethylamino)-2-oxoethyl]amino]butanoate
CID 60687680
ethyl 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanylacetate
CID 78760581

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(cyclopentylamino)-2-oxoethyl]amino]butanoate?
The IUPAC name of ethyl 4-[[2-(cyclopentylamino)-2-oxoethyl]amino]butanoate (CID 60648375) is ethyl 4-[[2-(cyclopentylamino)-2-oxoethyl]amino]butanoate.
What is the SMILES notation for ethyl 4-[[2-(cyclopentylamino)-2-oxoethyl]amino]butanoate?
The canonical SMILES for ethyl 4-[[2-(cyclopentylamino)-2-oxoethyl]amino]butanoate is CCOC(=O)CCCNCC(=O)NC1CCCC1.
What is the InChIKey of ethyl 4-[[2-(cyclopentylamino)-2-oxoethyl]amino]butanoate?
The InChIKey is LHXGERISHALTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-2-18-13(17)8-5-9-14-10-12(16)15-11-6-3-4-7-11/h11,14H,2-10H2,1H3,(H,15,16).
What are the key properties of ethyl 4-[[2-(cyclopentylamino)-2-oxoethyl]amino]butanoate?
ethyl 4-[[2-(cyclopentylamino)-2-oxoethyl]amino]butanoate has a molecular weight of 256.35 g/mol, XLogP of 0.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(cyclopentylamino)-2-oxoethyl]amino]butanoate is sourced from PubChem (CID 60648375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).