ethyl 1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate

C12H21N3O4 — CID 78912886

IUPACethyl 1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(C)C(=O)NC(N)=O
InChIInChI=1S/C12H21N3O4/c1-3-19-11(17)9-6-4-5-7-15(9)8(2)10(16)14-12(13)18/h8-9H,3-7H2,1-2H3,(H3,13,14,16,18)
InChIKeyURVWMRZQYPSRPD-UHFFFAOYSA-N
MW271.32 g/mol
LogP-0.01
Rot. Bonds4

About ethyl 1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate

ethyl 1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate (PubChem CID 78912886) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is ethyl 1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate
PubChem CID78912886
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Nameethyl 1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(C)C(=O)NC(N)=O
InChIInChI=1S/C12H21N3O4/c1-3-19-11(17)9-6-4-5-7-15(9)8(2)10(16)14-12(13)18/h8-9H,3-7H2,1-2H3,(H3,13,14,16,18)
InChIKeyURVWMRZQYPSRPD-UHFFFAOYSA-N
XLogP-0.01
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[1-(tert-butylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate
CID 78913541
ethyl 1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]piperidine-2-carboxylate
CID 115539233
ethyl 1-[1-oxo-1-(pentylamino)propan-2-yl]piperidine-2-carboxylate
CID 115539289
ethyl 1-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
CID 62028386
methyl 1-(1-ethoxy-1-oxopropan-2-yl)piperidine-2-carboxylate
CID 115536932
ethyl 1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]pyrrolidine-2-carboxylate
CID 62028568
ethyl (3S)-1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 81360759
ethyl 1-[1-(dimethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
CID 62028384
methyl (2R)-1-[1-oxo-1-(propylamino)propan-2-yl]piperidine-2-carboxylate
CID 115537824
ethyl (2R)-1-chloropiperidine-2-carboxylate
CID 124514605
methyl (2R)-1-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate
CID 115537909
N-carbamoyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 79028212

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate?
The IUPAC name of ethyl 1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate (CID 78912886) is ethyl 1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate is CCOC(=O)C1CCCCN1C(C)C(=O)NC(N)=O.
What is the InChIKey of ethyl 1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate?
The InChIKey is URVWMRZQYPSRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-3-19-11(17)9-6-4-5-7-15(9)8(2)10(16)14-12(13)18/h8-9H,3-7H2,1-2H3,(H3,13,14,16,18).
What are the key properties of ethyl 1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate?
ethyl 1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate has a molecular weight of 271.32 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate is sourced from PubChem (CID 78912886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).