ethyl (3R)-1-[2-(cyclopentylamino)-2-oxoacetyl]piperidine-3-carboxylate

C15H24N2O4 — CID 138480045

IUPACethyl (3R)-1-[2-(cyclopentylamino)-2-oxoacetyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(C(=O)C(=O)NC2CCCC2)C1
InChIInChI=1S/C15H24N2O4/c1-2-21-15(20)11-6-5-9-17(10-11)14(19)13(18)16-12-7-3-4-8-12/h11-12H,2-10H2,1H3,(H,16,18)/t11-/m1/s1
InChIKeyHMQFMSNHZFDMLI-LLVKDONJSA-N
MW296.37 g/mol
LogP0.85
Rot. Bonds3

About ethyl (3R)-1-[2-(cyclopentylamino)-2-oxoacetyl]piperidine-3-carboxylate

ethyl (3R)-1-[2-(cyclopentylamino)-2-oxoacetyl]piperidine-3-carboxylate (PubChem CID 138480045) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is ethyl (3R)-1-[2-(cyclopentylamino)-2-oxoacetyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-[2-(cyclopentylamino)-2-oxoacetyl]piperidine-3-carboxylate
PubChem CID138480045
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Nameethyl (3R)-1-[2-(cyclopentylamino)-2-oxoacetyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(C(=O)C(=O)NC2CCCC2)C1
InChIInChI=1S/C15H24N2O4/c1-2-21-15(20)11-6-5-9-17(10-11)14(19)13(18)16-12-7-3-4-8-12/h11-12H,2-10H2,1H3,(H,16,18)/t11-/m1/s1
InChIKeyHMQFMSNHZFDMLI-LLVKDONJSA-N
XLogP0.85
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-Cyclopropylcarbamoylmethyl-piperidine-3-carboxylic acid ethyl ester
CID 653879
Ethyl (3R)-1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-1-ium-3-carboxylate
CID 40032010
Ethyl 1-(2-aminoacetyl)piperidine-3-carboxylate hydrochloride
CID 44631043
Ethyl 1-(2-(methylamino)acetyl)piperidine-3-carboxylate
CID 47003233
1-(2-{[(Tert-butoxy)carbonyl]amino}propanoyl)piperidine-3-carboxylic acid
CID 137704378
1-[2-(Cyclopropylamino)-2-keto-ethyl]nipecotic acid ethyl ester;oxalic acid
CID 653880
ethyl (3S)-1-[3-(cyclopentylcarbamoylamino)-3-oxopropyl]piperidine-3-carboxylate
CID 31696793
ethyl (3S)-1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxylate
CID 40032015
1-[1-(Butylamino)-1-oxopropan-2-yl]piperidine-3-carboxylic acid
CID 43440657
Ethyl 1-(1-carbamoylethyl)piperidine-3-carboxylate
CID 45794528
Ethyl 1-[2-oxo-2-[(2-oxoazepan-3-yl)amino]ethyl]piperidine-3-carboxylate
CID 45815664
ethyl 2-[1-[(2S,4S)-4-fluoropyrrolidine-2-carbonyl]piperidin-4-yl]acetate
CID 58778931

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-[2-(cyclopentylamino)-2-oxoacetyl]piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-[2-(cyclopentylamino)-2-oxoacetyl]piperidine-3-carboxylate (CID 138480045) is ethyl (3R)-1-[2-(cyclopentylamino)-2-oxoacetyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-[2-(cyclopentylamino)-2-oxoacetyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-[2-(cyclopentylamino)-2-oxoacetyl]piperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(C(=O)C(=O)NC2CCCC2)C1.
What is the InChIKey of ethyl (3R)-1-[2-(cyclopentylamino)-2-oxoacetyl]piperidine-3-carboxylate?
The InChIKey is HMQFMSNHZFDMLI-LLVKDONJSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-2-21-15(20)11-6-5-9-17(10-11)14(19)13(18)16-12-7-3-4-8-12/h11-12H,2-10H2,1H3,(H,16,18)/t11-/m1/s1.
What are the key properties of ethyl (3R)-1-[2-(cyclopentylamino)-2-oxoacetyl]piperidine-3-carboxylate?
ethyl (3R)-1-[2-(cyclopentylamino)-2-oxoacetyl]piperidine-3-carboxylate has a molecular weight of 296.37 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-[2-(cyclopentylamino)-2-oxoacetyl]piperidine-3-carboxylate is sourced from PubChem (CID 138480045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).