ethyl 1-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]pyrrolidine-2-carboxylate

C15H28N2O4 — CID 62028758

IUPACethyl 1-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1CC(=O)NCCCOC(C)C
InChIInChI=1S/C15H28N2O4/c1-4-20-15(19)13-7-5-9-17(13)11-14(18)16-8-6-10-21-12(2)3/h12-13H,4-11H2,1-3H3,(H,16,18)
InChIKeyNAHIRTVANZZJLV-UHFFFAOYSA-N
MW300.40 g/mol
LogP0.95
Rot. Bonds9

About ethyl 1-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]pyrrolidine-2-carboxylate

ethyl 1-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]pyrrolidine-2-carboxylate (PubChem CID 62028758) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is ethyl 1-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]pyrrolidine-2-carboxylate
PubChem CID62028758
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Nameethyl 1-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1CC(=O)NCCCOC(C)C
InChIInChI=1S/C15H28N2O4/c1-4-20-15(19)13-7-5-9-17(13)11-14(18)16-8-6-10-21-12(2)3/h12-13H,4-11H2,1-3H3,(H,16,18)
InChIKeyNAHIRTVANZZJLV-UHFFFAOYSA-N
XLogP0.95
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(1-aminoethyl)piperidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 63256081
ethyl 1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62011895
ethyl 1-[2-(cycloheptylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62028753
ethyl 1-[3-(ethylamino)-3-oxopropyl]pyrrolidine-2-carboxylate
CID 62326636
2-(3-aminopyrrolidin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide
CID 55030129
ethyl 1-(2-methylidenebutyl)pyrrolidine-2-carboxylate
CID 66037356
2-[3-methyl-4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]piperazin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 56550582
1-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 63032025
ethyl 4-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]amino]butanoate
CID 78942507
methyl 1-[2-(ethoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62027860
(5-oxo-5-phenylmethoxypentyl) (2S)-1-[2-oxo-2-(pentylamino)ethyl]pyrrolidine-2-carboxylate
CID 67865577
ethyl 1-[2-(azocan-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62028766

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]pyrrolidine-2-carboxylate (CID 62028758) is ethyl 1-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]pyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1CC(=O)NCCCOC(C)C.
What is the InChIKey of ethyl 1-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]pyrrolidine-2-carboxylate?
The InChIKey is NAHIRTVANZZJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-4-20-15(19)13-7-5-9-17(13)11-14(18)16-8-6-10-21-12(2)3/h12-13H,4-11H2,1-3H3,(H,16,18).
What are the key properties of ethyl 1-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]pyrrolidine-2-carboxylate?
ethyl 1-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]pyrrolidine-2-carboxylate has a molecular weight of 300.40 g/mol, XLogP of 0.95, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 62028758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).