ethyl 1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]pyrrolidine-2-carboxylate

C15H28N2O3 — CID 62028568

IUPACethyl 1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]pyrrolidine-2-carboxylate
SMILESCCCC(C)NC(=O)C(C)N1CCCC1C(=O)OCC
InChIInChI=1S/C15H28N2O3/c1-5-8-11(3)16-14(18)12(4)17-10-7-9-13(17)15(19)20-6-2/h11-13H,5-10H2,1-4H3,(H,16,18)
InChIKeyHADHGUVDKZXYSR-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.71
Rot. Bonds7

About ethyl 1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]pyrrolidine-2-carboxylate

ethyl 1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]pyrrolidine-2-carboxylate (PubChem CID 62028568) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is ethyl 1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]pyrrolidine-2-carboxylate
PubChem CID62028568
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nameethyl 1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]pyrrolidine-2-carboxylate
SMILESCCCC(C)NC(=O)C(C)N1CCCC1C(=O)OCC
InChIInChI=1S/C15H28N2O3/c1-5-8-11(3)16-14(18)12(4)17-10-7-9-13(17)15(19)20-6-2/h11-13H,5-10H2,1-4H3,(H,16,18)
InChIKeyHADHGUVDKZXYSR-UHFFFAOYSA-N
XLogP1.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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

Analyze ethyl 1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]pyrrolidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]piperidine-2-carboxylate
CID 115539233
ethyl 1-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
CID 62028386
ethyl 1-[1-(tert-butylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate
CID 78913541
ethyl 1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate
CID 78912886
ethyl 1-[1-oxo-1-(pentylamino)propan-2-yl]piperidine-2-carboxylate
CID 115539289
ethyl 1-[1-(dimethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
CID 62028384
methyl 1-(1-ethoxy-1-oxopropan-2-yl)piperidine-2-carboxylate
CID 115536932
2-[1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]pyrrolidin-2-yl]acetic acid
CID 61370335
2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-pentan-2-ylpropanamide
CID 55243368
tert-butyl (2S)-1-(1-ethoxy-1-oxopropan-2-yl)pyrrolidine-2-carboxylate
CID 115537254
1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]piperidine-2-carboxylic acid
CID 43440972
2-(2-acetylpiperidin-1-yl)-N-butan-2-ylpropanamide
CID 63844811

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]pyrrolidine-2-carboxylate (CID 62028568) is ethyl 1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]pyrrolidine-2-carboxylate is CCCC(C)NC(=O)C(C)N1CCCC1C(=O)OCC.
What is the InChIKey of ethyl 1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]pyrrolidine-2-carboxylate?
The InChIKey is HADHGUVDKZXYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-5-8-11(3)16-14(18)12(4)17-10-7-9-13(17)15(19)20-6-2/h11-13H,5-10H2,1-4H3,(H,16,18).
What are the key properties of ethyl 1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]pyrrolidine-2-carboxylate?
ethyl 1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]pyrrolidine-2-carboxylate has a molecular weight of 284.40 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 62028568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).