ethyl (3S)-1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate

C12H21N3O4 — CID 81360759

IUPACethyl (3S)-1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(C(C)C(=O)NC(N)=O)C1
InChIInChI=1S/C12H21N3O4/c1-3-19-11(17)9-5-4-6-15(7-9)8(2)10(16)14-12(13)18/h8-9H,3-7H2,1-2H3,(H3,13,14,16,18)/t8?,9-/m0/s1
InChIKeyCVKPYWUVXFRYSH-GKAPJAKFSA-N
MW271.32 g/mol
LogP-0.16
Rot. Bonds4

About ethyl (3S)-1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate

ethyl (3S)-1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate (PubChem CID 81360759) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is ethyl (3S)-1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3S)-1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
PubChem CID81360759
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Nameethyl (3S)-1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(C(C)C(=O)NC(N)=O)C1
InChIInChI=1S/C12H21N3O4/c1-3-19-11(17)9-5-4-6-15(7-9)8(2)10(16)14-12(13)18/h8-9H,3-7H2,1-2H3,(H3,13,14,16,18)/t8?,9-/m0/s1
InChIKeyCVKPYWUVXFRYSH-GKAPJAKFSA-N
XLogP-0.16
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 ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 46631177
ethyl (3R)-1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 81338323
1-[1-(carbamoylamino)-1-oxopropan-2-yl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 49444435
ethyl 1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-3-carboxylate
CID 60676295
ethyl (3S)-1-[1-(dimethylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 81338312
ethyl (3R)-1-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]piperidine-3-carboxylate
CID 27069320
ethyl 1-(1-aminopropan-2-yl)piperidine-3-carboxylate
CID 63383254
ethyl (3S)-1-[(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]piperidine-3-carboxylate
CID 98490889
ethyl (3R)-1-(4-ethoxy-4-oxobutan-2-yl)piperidine-3-carboxylate
CID 115538013
ethyl 1-(4-ethoxy-4-oxobutan-2-yl)piperidine-3-carboxylate
CID 62028790
ethyl 1-[1-(2,4-dimethylanilino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 46631046
ethyl (3R)-1-(4-methoxy-4-oxobutan-2-yl)piperidine-3-carboxylate
CID 113331162

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate?
The IUPAC name of ethyl (3S)-1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate (CID 81360759) is ethyl (3S)-1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3S)-1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate?
The canonical SMILES for ethyl (3S)-1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate is CCOC(=O)[C@H]1CCCN(C(C)C(=O)NC(N)=O)C1.
What is the InChIKey of ethyl (3S)-1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate?
The InChIKey is CVKPYWUVXFRYSH-GKAPJAKFSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-3-19-11(17)9-5-4-6-15(7-9)8(2)10(16)14-12(13)18/h8-9H,3-7H2,1-2H3,(H3,13,14,16,18)/t8?,9-/m0/s1.
What are the key properties of ethyl (3S)-1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate?
ethyl (3S)-1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate has a molecular weight of 271.32 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate is sourced from PubChem (CID 81360759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).