ethyl 2-[(1-carbamoylpiperidine-3-carbonyl)amino]propanoate

C12H21N3O4 — CID 61344950

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

About ethyl 2-[(1-carbamoylpiperidine-3-carbonyl)amino]propanoate

ethyl 2-[(1-carbamoylpiperidine-3-carbonyl)amino]propanoate (PubChem CID 61344950) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is ethyl 2-[(1-carbamoylpiperidine-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(1-carbamoylpiperidine-3-carbonyl)amino]propanoate
PubChem CID61344950
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Nameethyl 2-[(1-carbamoylpiperidine-3-carbonyl)amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)C1CCCN(C(N)=O)C1
InChIInChI=1S/C12H21N3O4/c1-3-19-11(17)8(2)14-10(16)9-5-4-6-15(7-9)12(13)18/h8-9H,3-7H2,1-2H3,(H2,13,18)(H,14,16)
InChIKeyQGSCTHGCBFFBIN-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 2-[[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]amino]propanoate
CID 47078434
ethyl (2S)-2-[[(1R,3S)-3-[[(2S)-1-ethoxy-1-oxopropan-2-yl]carbamoyl]cyclohexanecarbonyl]amino]propanoate
CID 52517363
ethyl 2-(cyclopropanecarbonylamino)propanoate
CID 58636709
2-[(1-carbamoylpiperidine-3-carbonyl)amino]-3-methoxypropanoic acid
CID 81077471
3-N-[(2S)-2-hydroxypropyl]piperidine-1,3-dicarboxamide
CID 83059648
ethyl 1-[2-(carbamoylamino)propanoyl]piperidine-3-carboxylate
CID 43404443
3-N-(2-ethylbutyl)piperidine-1,3-dicarboxamide
CID 115612806
1-(4-aminopentanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 120561824
3-N-(2-amino-1-cyclohexylethyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 119591920
2-[(1-carbamoylpiperidine-3-carbonyl)amino]-2-methylbutanoic acid
CID 79792508
(2R)-2-[(1-carbamoylpiperidine-3-carbonyl)amino]-4-hydroxybutanoic acid
CID 114005009
1-(3-aminopropanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 119311679

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-carbamoylpiperidine-3-carbonyl)amino]propanoate?
The IUPAC name of ethyl 2-[(1-carbamoylpiperidine-3-carbonyl)amino]propanoate (CID 61344950) is ethyl 2-[(1-carbamoylpiperidine-3-carbonyl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(1-carbamoylpiperidine-3-carbonyl)amino]propanoate?
The canonical SMILES for ethyl 2-[(1-carbamoylpiperidine-3-carbonyl)amino]propanoate is CCOC(=O)C(C)NC(=O)C1CCCN(C(N)=O)C1.
What is the InChIKey of ethyl 2-[(1-carbamoylpiperidine-3-carbonyl)amino]propanoate?
The InChIKey is QGSCTHGCBFFBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-3-19-11(17)8(2)14-10(16)9-5-4-6-15(7-9)12(13)18/h8-9H,3-7H2,1-2H3,(H2,13,18)(H,14,16).
What are the key properties of ethyl 2-[(1-carbamoylpiperidine-3-carbonyl)amino]propanoate?
ethyl 2-[(1-carbamoylpiperidine-3-carbonyl)amino]propanoate 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 2-[(1-carbamoylpiperidine-3-carbonyl)amino]propanoate is sourced from PubChem (CID 61344950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).