methyl 3-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]butanoate;hydrochloride

C12H24ClN3O3 — CID 120873005

IUPACmethyl 3-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]butanoate;hydrochloride
SMILESCOC(=O)CC(C)N1CCN(C(=O)[C@@H](C)N)CC1.Cl
InChIInChI=1S/C12H23N3O3.ClH/c1-9(8-11(16)18-3)14-4-6-15(7-5-14)12(17)10(2)13;/h9-10H,4-8,13H2,1-3H3;1H/t9?,10-;/m1./s1
InChIKeyYDTGMMGXWUJEHX-FJYJDOHQSA-N
MW293.80 g/mol
LogP-0.15
Rot. Bonds4

About methyl 3-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]butanoate;hydrochloride

methyl 3-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]butanoate;hydrochloride (PubChem CID 120873005) has the molecular formula C12H24ClN3O3 and a molecular weight of 293.80 g/mol. Its IUPAC name is methyl 3-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]butanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]butanoate;hydrochloride
PubChem CID120873005
Molecular FormulaC12H24ClN3O3
Molecular Weight293.80 g/mol
Exact Mass293.15
IUPAC Namemethyl 3-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]butanoate;hydrochloride
SMILESCOC(=O)CC(C)N1CCN(C(=O)[C@@H](C)N)CC1.Cl
InChIInChI=1S/C12H23N3O3.ClH/c1-9(8-11(16)18-3)14-4-6-15(7-5-14)12(17)10(2)13;/h9-10H,4-8,13H2,1-3H3;1H/t9?,10-;/m1./s1
InChIKeyYDTGMMGXWUJEHX-FJYJDOHQSA-N
XLogP-0.15
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]butanoate
CID 120873006
methyl (3R)-3-pyrrolidin-1-ylbutanoate
CID 93106309
methyl 2-[4-(2-aminopropanoyl)piperazin-1-yl]acetate
CID 60953142
methyl (3S)-3-piperidin-1-ylbutanoate
CID 93106362
methyl 3-(4-methylsulfonylpiperazin-1-yl)butanoate
CID 62993471
methyl 3-[4-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperazin-1-yl]butanoate
CID 120991554
(2R)-2-amino-1-(4-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 156637210
(2R)-2-amino-1-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 122361126
2-amino-1-(azetidin-1-yl)propan-1-one;hydrochloride
CID 53484454
(2S)-2-amino-1-(azetidin-1-yl)propan-1-one;hydrochloride
CID 53484456
methyl 3-(4-ethyl-4-methylpiperidin-1-yl)butanoate
CID 63158675
ethyl 3-[4-(3-methoxy-3-oxopropyl)piperazin-1-yl]butanoate
CID 115537131

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]butanoate;hydrochloride?
The IUPAC name of methyl 3-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]butanoate;hydrochloride (CID 120873005) is methyl 3-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]butanoate;hydrochloride.
What is the SMILES notation for methyl 3-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]butanoate;hydrochloride?
The canonical SMILES for methyl 3-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]butanoate;hydrochloride is COC(=O)CC(C)N1CCN(C(=O)[C@@H](C)N)CC1.Cl.
What is the InChIKey of methyl 3-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]butanoate;hydrochloride?
The InChIKey is YDTGMMGXWUJEHX-FJYJDOHQSA-N. The full InChI is InChI=1S/C12H23N3O3.ClH/c1-9(8-11(16)18-3)14-4-6-15(7-5-14)12(17)10(2)13;/h9-10H,4-8,13H2,1-3H3;1H/t9?,10-;/m1./s1.
What are the key properties of methyl 3-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]butanoate;hydrochloride?
methyl 3-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]butanoate;hydrochloride has a molecular weight of 293.80 g/mol, XLogP of -0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]butanoate;hydrochloride is sourced from PubChem (CID 120873005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).