ethyl 1-[2-(carbamoylamino)propanoyl]piperidine-3-carboxylate

C12H21N3O4 — CID 43404443

IUPACethyl 1-[2-(carbamoylamino)propanoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)C(C)NC(N)=O)C1
InChIInChI=1S/C12H21N3O4/c1-3-19-11(17)9-5-4-6-15(7-9)10(16)8(2)14-12(13)18/h8-9H,3-7H2,1-2H3,(H3,13,14,18)
InChIKeyIXRQGXOAJTYOGX-UHFFFAOYSA-N
MW271.32 g/mol
LogP-0.16
Rot. Bonds4

About ethyl 1-[2-(carbamoylamino)propanoyl]piperidine-3-carboxylate

ethyl 1-[2-(carbamoylamino)propanoyl]piperidine-3-carboxylate (PubChem CID 43404443) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is ethyl 1-[2-(carbamoylamino)propanoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(carbamoylamino)propanoyl]piperidine-3-carboxylate
PubChem CID43404443
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Nameethyl 1-[2-(carbamoylamino)propanoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)C(C)NC(N)=O)C1
InChIInChI=1S/C12H21N3O4/c1-3-19-11(17)9-5-4-6-15(7-9)10(16)8(2)14-12(13)18/h8-9H,3-7H2,1-2H3,(H3,13,14,18)
InChIKeyIXRQGXOAJTYOGX-UHFFFAOYSA-N
XLogP-0.16
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
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 ≤ 104

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Related Compounds

ethyl (3R)-1-[2-(carbamoylamino)-3-methylbutanoyl]piperidine-3-carboxylate
CID 81426190
(3R)-1-[2-(carbamoylamino)propanoyl]piperidine-3-carboxylic acid
CID 81118974
ethyl 1-[(2R)-2-aminopropanoyl]piperidine-3-carboxylate;hydrochloride
CID 120872698
ethyl 1-[(2R)-2-amino-3-methylbutanoyl]piperidine-3-carboxylate
CID 79011559
ethyl 1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidine-3-carboxylate
CID 61149152
ethyl 1-[(2S)-2-aminobutanoyl]piperidine-3-carboxylate
CID 79025048
ethyl 1-[3-methyl-2-(pentanoylamino)butanoyl]piperidine-3-carboxylate
CID 42697442
3-O-ethyl 1-O-propan-2-yl (3S)-piperidine-1,3-dicarboxylate
CID 115536035
3-O-ethyl 1-O-methyl (3S)-piperidine-1,3-dicarboxylate
CID 51681874
2,2,2-trichloroethyl (3R)-1-[(2S)-2-[[(2S,3S)-2-hydroxy-3-methylpentanoyl]amino]propanoyl]piperidine-3-carboxylate
CID 159160965
ethyl (3S)-1-(diethylcarbamoyl)piperidine-3-carboxylate
CID 7378827
ethyl 2-[(1-carbamoylpiperidine-3-carbonyl)amino]propanoate
CID 61344950

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(carbamoylamino)propanoyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[2-(carbamoylamino)propanoyl]piperidine-3-carboxylate (CID 43404443) is ethyl 1-[2-(carbamoylamino)propanoyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-(carbamoylamino)propanoyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[2-(carbamoylamino)propanoyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)C(C)NC(N)=O)C1.
What is the InChIKey of ethyl 1-[2-(carbamoylamino)propanoyl]piperidine-3-carboxylate?
The InChIKey is IXRQGXOAJTYOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-3-19-11(17)9-5-4-6-15(7-9)10(16)8(2)14-12(13)18/h8-9H,3-7H2,1-2H3,(H3,13,14,18).
What are the key properties of ethyl 1-[2-(carbamoylamino)propanoyl]piperidine-3-carboxylate?
ethyl 1-[2-(carbamoylamino)propanoyl]piperidine-3-carboxylate has a molecular weight of 271.32 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(carbamoylamino)propanoyl]piperidine-3-carboxylate is sourced from PubChem (CID 43404443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).