ethyl 1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidine-3-carboxylate

C14H26N2O3 — CID 61149152

IUPACethyl 1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)[C@@H](N)[C@@H](C)CC)C1
InChIInChI=1S/C14H26N2O3/c1-4-10(3)12(15)13(17)16-8-6-7-11(9-16)14(18)19-5-2/h10-12H,4-9,15H2,1-3H3/t10-,11?,12-/m0/s1
InChIKeyUERCUEIEAOJALZ-PRWSFJOGSA-N
MW270.37 g/mol
LogP1.16
Rot. Bonds5

About ethyl 1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidine-3-carboxylate

ethyl 1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidine-3-carboxylate (PubChem CID 61149152) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is ethyl 1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidine-3-carboxylate
PubChem CID61149152
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nameethyl 1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)[C@@H](N)[C@@H](C)CC)C1
InChIInChI=1S/C14H26N2O3/c1-4-10(3)12(15)13(17)16-8-6-7-11(9-16)14(18)19-5-2/h10-12H,4-9,15H2,1-3H3/t10-,11?,12-/m0/s1
InChIKeyUERCUEIEAOJALZ-PRWSFJOGSA-N
XLogP1.16
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.16
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-[(2R)-2-aminopropanoyl]piperidine-3-carboxylate;hydrochloride
CID 120872698
1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidine-3-carboxylic acid
CID 61157542
ethyl 1-[(2S)-2-aminobutanoyl]piperidine-3-carboxylate
CID 79025048
ethyl 1-[2-(carbamoylamino)propanoyl]piperidine-3-carboxylate
CID 43404443
2-amino-1-(3-methoxypiperidin-1-yl)-3-methylpentan-1-one;hydrochloride
CID 119729761
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
2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3-methylpentan-1-one
CID 103810688
ethyl 1-(2-cyclopropylacetyl)piperidine-3-carboxylate
CID 43424044
ethyl (3S)-1-(diethylcarbamoyl)piperidine-3-carboxylate
CID 7378827
ethyl 1-(2-phenylbutanoyl)piperidine-3-carboxylate
CID 3273147

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidine-3-carboxylate (CID 61149152) is ethyl 1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)[C@@H](N)[C@@H](C)CC)C1.
What is the InChIKey of ethyl 1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidine-3-carboxylate?
The InChIKey is UERCUEIEAOJALZ-PRWSFJOGSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-10(3)12(15)13(17)16-8-6-7-11(9-16)14(18)19-5-2/h10-12H,4-9,15H2,1-3H3/t10-,11?,12-/m0/s1.
What are the key properties of ethyl 1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidine-3-carboxylate?
ethyl 1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidine-3-carboxylate has a molecular weight of 270.37 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidine-3-carboxylate is sourced from PubChem (CID 61149152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).