ethyl 3-[(3R)-3-aminopiperidin-1-yl]butanoate

C11H22N2O2 — CID 102984888

IUPACethyl 3-[(3R)-3-aminopiperidin-1-yl]butanoate
SMILESCCOC(=O)CC(C)N1CCC[C@@H](N)C1
InChIInChI=1S/C11H22N2O2/c1-3-15-11(14)7-9(2)13-6-4-5-10(12)8-13/h9-10H,3-8,12H2,1-2H3/t9?,10-/m1/s1
InChIKeyMTLNXQFGNAJHTA-QVDQXJPCSA-N
MW214.31 g/mol
LogP0.75
Rot. Bonds4

About ethyl 3-[(3R)-3-aminopiperidin-1-yl]butanoate

ethyl 3-[(3R)-3-aminopiperidin-1-yl]butanoate (PubChem CID 102984888) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is ethyl 3-[(3R)-3-aminopiperidin-1-yl]butanoate.

Molecular Properties

Compound Nameethyl 3-[(3R)-3-aminopiperidin-1-yl]butanoate
PubChem CID102984888
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Nameethyl 3-[(3R)-3-aminopiperidin-1-yl]butanoate
SMILESCCOC(=O)CC(C)N1CCC[C@@H](N)C1
InChIInChI=1S/C11H22N2O2/c1-3-15-11(14)7-9(2)13-6-4-5-10(12)8-13/h9-10H,3-8,12H2,1-2H3/t9?,10-/m1/s1
InChIKeyMTLNXQFGNAJHTA-QVDQXJPCSA-N
XLogP0.75
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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 3-(3-aminoazetidin-1-yl)butanoate
CID 65249618
ethyl (3R)-1-(4-methoxy-4-oxobutan-2-yl)piperidine-3-carboxylate
CID 113331162
ethyl 3-(4-hydroxypiperidin-1-yl)butanoate
CID 56994099
ethyl 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butanoate
CID 79935337
ethyl 3-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]butanoate
CID 79411173
1-(4-methylpentan-2-yl)piperidin-3-amine
CID 61295686
ethyl 1-(1-aminopropan-2-yl)piperidine-3-carboxylate
CID 63383254
ethyl 2-[3-(3-ethoxy-3-oxopropyl)piperidin-1-yl]propanoate
CID 70373350
ethyl 3-[4-(cyclopropylmethylamino)piperidin-1-yl]butanoate
CID 115307352
ethyl 3-aminopiperidine-1-carboxylate
CID 10103615

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(3R)-3-aminopiperidin-1-yl]butanoate?
The IUPAC name of ethyl 3-[(3R)-3-aminopiperidin-1-yl]butanoate (CID 102984888) is ethyl 3-[(3R)-3-aminopiperidin-1-yl]butanoate.
What is the SMILES notation for ethyl 3-[(3R)-3-aminopiperidin-1-yl]butanoate?
The canonical SMILES for ethyl 3-[(3R)-3-aminopiperidin-1-yl]butanoate is CCOC(=O)CC(C)N1CCC[C@@H](N)C1.
What is the InChIKey of ethyl 3-[(3R)-3-aminopiperidin-1-yl]butanoate?
The InChIKey is MTLNXQFGNAJHTA-QVDQXJPCSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-15-11(14)7-9(2)13-6-4-5-10(12)8-13/h9-10H,3-8,12H2,1-2H3/t9?,10-/m1/s1.
What are the key properties of ethyl 3-[(3R)-3-aminopiperidin-1-yl]butanoate?
ethyl 3-[(3R)-3-aminopiperidin-1-yl]butanoate has a molecular weight of 214.31 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(3R)-3-aminopiperidin-1-yl]butanoate is sourced from PubChem (CID 102984888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).