ethyl 1-[(2R)-2-aminopropanoyl]piperidine-3-carboxylate;hydrochloride

C11H21ClN2O3 — CID 120872698

IUPACethyl 1-[(2R)-2-aminopropanoyl]piperidine-3-carboxylate;hydrochloride
SMILESCCOC(=O)C1CCCN(C(=O)[C@@H](C)N)C1.Cl
InChIInChI=1S/C11H20N2O3.ClH/c1-3-16-11(15)9-5-4-6-13(7-9)10(14)8(2)12;/h8-9H,3-7,12H2,1-2H3;1H/t8-,9?;/m1./s1
InChIKeyNCEFHJCJBJBRJS-URIXSHMWSA-N
MW264.75 g/mol
LogP0.56
Rot. Bonds3

About ethyl 1-[(2R)-2-aminopropanoyl]piperidine-3-carboxylate;hydrochloride

ethyl 1-[(2R)-2-aminopropanoyl]piperidine-3-carboxylate;hydrochloride (PubChem CID 120872698) has the molecular formula C11H21ClN2O3 and a molecular weight of 264.75 g/mol. Its IUPAC name is ethyl 1-[(2R)-2-aminopropanoyl]piperidine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 1-[(2R)-2-aminopropanoyl]piperidine-3-carboxylate;hydrochloride
PubChem CID120872698
Molecular FormulaC11H21ClN2O3
Molecular Weight264.75 g/mol
Exact Mass264.12
IUPAC Nameethyl 1-[(2R)-2-aminopropanoyl]piperidine-3-carboxylate;hydrochloride
SMILESCCOC(=O)C1CCCN(C(=O)[C@@H](C)N)C1.Cl
InChIInChI=1S/C11H20N2O3.ClH/c1-3-16-11(15)9-5-4-6-13(7-9)10(14)8(2)12;/h8-9H,3-7,12H2,1-2H3;1H/t8-,9?;/m1./s1
InChIKeyNCEFHJCJBJBRJS-URIXSHMWSA-N
XLogP0.56
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.75
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
methyl (3S)-1-[(2R)-2-aminopropanoyl]piperidine-3-carboxylate
CID 124508484
ethyl 1-[2-(carbamoylamino)propanoyl]piperidine-3-carboxylate
CID 43404443
3-O-ethyl 1-O-propan-2-yl (3S)-piperidine-1,3-dicarboxylate
CID 115536035
ethyl (3R)-1-[2-(carbamoylamino)-3-methylbutanoyl]piperidine-3-carboxylate
CID 81426190
tert-butyl 1-(2-aminopropanoyl)piperidine-3-carboxylate
CID 165486896
ethyl 1-(2-amino-2-ethylbutanoyl)piperidine-3-carboxylate
CID 79810016
ethyl (3S)-1-(diethylcarbamoyl)piperidine-3-carboxylate
CID 7378827
ethyl 1-(2-amino-2-phenylacetyl)piperidine-3-carboxylate
CID 76892741
3-O-ethyl 1-O-methyl (3S)-piperidine-1,3-dicarboxylate
CID 51681874

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2R)-2-aminopropanoyl]piperidine-3-carboxylate;hydrochloride?
The IUPAC name of ethyl 1-[(2R)-2-aminopropanoyl]piperidine-3-carboxylate;hydrochloride (CID 120872698) is ethyl 1-[(2R)-2-aminopropanoyl]piperidine-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 1-[(2R)-2-aminopropanoyl]piperidine-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl 1-[(2R)-2-aminopropanoyl]piperidine-3-carboxylate;hydrochloride is CCOC(=O)C1CCCN(C(=O)[C@@H](C)N)C1.Cl.
What is the InChIKey of ethyl 1-[(2R)-2-aminopropanoyl]piperidine-3-carboxylate;hydrochloride?
The InChIKey is NCEFHJCJBJBRJS-URIXSHMWSA-N. The full InChI is InChI=1S/C11H20N2O3.ClH/c1-3-16-11(15)9-5-4-6-13(7-9)10(14)8(2)12;/h8-9H,3-7,12H2,1-2H3;1H/t8-,9?;/m1./s1.
What are the key properties of ethyl 1-[(2R)-2-aminopropanoyl]piperidine-3-carboxylate;hydrochloride?
ethyl 1-[(2R)-2-aminopropanoyl]piperidine-3-carboxylate;hydrochloride has a molecular weight of 264.75 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2R)-2-aminopropanoyl]piperidine-3-carboxylate;hydrochloride is sourced from PubChem (CID 120872698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).