cyclopentyl (2R)-4-methyl-2-(pyrrolidin-3-ylamino)pentanoate;dihydrochloride

C15H30Cl2N2O2 — CID 89497653

IUPACcyclopentyl (2R)-4-methyl-2-(pyrrolidin-3-ylamino)pentanoate;dihydrochloride
SMILESCC(C)C[C@@H](NC1CCNC1)C(=O)OC1CCCC1.Cl.Cl
InChIInChI=1S/C15H28N2O2.2ClH/c1-11(2)9-14(17-12-7-8-16-10-12)15(18)19-13-5-3-4-6-13;;/h11-14,16-17H,3-10H2,1-2H3;2*1H/t12?,14-;;/m1../s1
InChIKeyILLCFCBHGCHCBR-FVLCQKEPSA-N
MW341.32 g/mol
LogP2.68
Rot. Bonds6

About cyclopentyl (2R)-4-methyl-2-(pyrrolidin-3-ylamino)pentanoate;dihydrochloride

cyclopentyl (2R)-4-methyl-2-(pyrrolidin-3-ylamino)pentanoate;dihydrochloride (PubChem CID 89497653) has the molecular formula C15H30Cl2N2O2 and a molecular weight of 341.32 g/mol. Its IUPAC name is cyclopentyl (2R)-4-methyl-2-(pyrrolidin-3-ylamino)pentanoate;dihydrochloride.

Molecular Properties

Compound Namecyclopentyl (2R)-4-methyl-2-(pyrrolidin-3-ylamino)pentanoate;dihydrochloride
PubChem CID89497653
Molecular FormulaC15H30Cl2N2O2
Molecular Weight341.32 g/mol
Exact Mass340.17
IUPAC Namecyclopentyl (2R)-4-methyl-2-(pyrrolidin-3-ylamino)pentanoate;dihydrochloride
SMILESCC(C)C[C@@H](NC1CCNC1)C(=O)OC1CCCC1.Cl.Cl
InChIInChI=1S/C15H28N2O2.2ClH/c1-11(2)9-14(17-12-7-8-16-10-12)15(18)19-13-5-3-4-6-13;;/h11-14,16-17H,3-10H2,1-2H3;2*1H/t12?,14-;;/m1../s1
InChIKeyILLCFCBHGCHCBR-FVLCQKEPSA-N
XLogP2.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-methyl-2-(piperidin-4-ylamino)pentanoate
CID 61016873
cyclohexyl 4-methyl-2-(methylamino)pentanoate
CID 143660468
piperidin-4-yl (2S)-2-amino-4-methylpentanoate;dihydrochloride
CID 173188799
cyclopentyl (2R)-2-[[1-(2,4-dihydroxy-5-propan-2-ylbenzoyl)piperidin-4-yl]amino]-4-methylpentanoate
CID 54766355
ethyl 2-(pyrrolidin-3-ylamino)propanoate
CID 79741945
cycloheptyl (2R)-2-amino-4-methylpentanoate
CID 78976122
3-(4-methylpentan-2-yloxy)-N-pyrrolidin-3-ylpropanamide
CID 119453788
piperidin-4-yl 2-methylbutanoate
CID 18987401
(3R)-N-propan-2-ylpyrrolidin-3-amine
CID 53346611
3-amino-2-methyl-N-pyrrolidin-3-ylpropanamide
CID 130616618
cyclopentyl 2-(piperidin-4-ylamino)acetate;dihydrochloride
CID 174595921
cyclopentyl 4-methyl-2-[(4-methylphenyl)methylamino]pentanoate
CID 90908653

Frequently Asked Questions

What is the IUPAC name of cyclopentyl (2R)-4-methyl-2-(pyrrolidin-3-ylamino)pentanoate;dihydrochloride?
The IUPAC name of cyclopentyl (2R)-4-methyl-2-(pyrrolidin-3-ylamino)pentanoate;dihydrochloride (CID 89497653) is cyclopentyl (2R)-4-methyl-2-(pyrrolidin-3-ylamino)pentanoate;dihydrochloride.
What is the SMILES notation for cyclopentyl (2R)-4-methyl-2-(pyrrolidin-3-ylamino)pentanoate;dihydrochloride?
The canonical SMILES for cyclopentyl (2R)-4-methyl-2-(pyrrolidin-3-ylamino)pentanoate;dihydrochloride is CC(C)C[C@@H](NC1CCNC1)C(=O)OC1CCCC1.Cl.Cl.
What is the InChIKey of cyclopentyl (2R)-4-methyl-2-(pyrrolidin-3-ylamino)pentanoate;dihydrochloride?
The InChIKey is ILLCFCBHGCHCBR-FVLCQKEPSA-N. The full InChI is InChI=1S/C15H28N2O2.2ClH/c1-11(2)9-14(17-12-7-8-16-10-12)15(18)19-13-5-3-4-6-13;;/h11-14,16-17H,3-10H2,1-2H3;2*1H/t12?,14-;;/m1../s1.
What are the key properties of cyclopentyl (2R)-4-methyl-2-(pyrrolidin-3-ylamino)pentanoate;dihydrochloride?
cyclopentyl (2R)-4-methyl-2-(pyrrolidin-3-ylamino)pentanoate;dihydrochloride has a molecular weight of 341.32 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl (2R)-4-methyl-2-(pyrrolidin-3-ylamino)pentanoate;dihydrochloride is sourced from PubChem (CID 89497653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).