methyl 2-(2-piperazin-1-ylpropanoylamino)propanoate

C11H21N3O3 — CID 54960724

IUPACmethyl 2-(2-piperazin-1-ylpropanoylamino)propanoate
SMILESCOC(=O)C(C)NC(=O)C(C)N1CCNCC1
InChIInChI=1S/C11H21N3O3/c1-8(11(16)17-3)13-10(15)9(2)14-6-4-12-5-7-14/h8-9,12H,4-7H2,1-3H3,(H,13,15)
InChIKeyVTMIASQKWMQCCD-UHFFFAOYSA-N
MW243.31 g/mol
LogP-1.04
Rot. Bonds4

About methyl 2-(2-piperazin-1-ylpropanoylamino)propanoate

methyl 2-(2-piperazin-1-ylpropanoylamino)propanoate (PubChem CID 54960724) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is methyl 2-(2-piperazin-1-ylpropanoylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-(2-piperazin-1-ylpropanoylamino)propanoate
PubChem CID54960724
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Namemethyl 2-(2-piperazin-1-ylpropanoylamino)propanoate
SMILESCOC(=O)C(C)NC(=O)C(C)N1CCNCC1
InChIInChI=1S/C11H21N3O3/c1-8(11(16)17-3)13-10(15)9(2)14-6-4-12-5-7-14/h8-9,12H,4-7H2,1-3H3,(H,13,15)
InChIKeyVTMIASQKWMQCCD-UHFFFAOYSA-N
XLogP-1.04
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-piperazin-1-ylpropanamide;dihydrochloride
CID 54593431
N-(4-methylsulfinylbutan-2-yl)-2-piperazin-1-ylpropanamide
CID 113493593
N-[2-(dimethylcarbamoylamino)ethyl]-2-piperazin-1-ylpropanamide
CID 83121763
N-pent-3-ynyl-2-piperazin-1-ylpropanamide
CID 116644676
N-(2-methylcyclopropyl)-2-piperazin-1-ylpropanamide
CID 62408631
2-[2-(1,4,7,10-tetrazacyclododec-1-yl)propanoylamino]acetic acid
CID 57071289
methyl 2-(piperazin-1-ylsulfonylamino)propanoate
CID 22615502
N-(2,2-difluoroethyl)-2-piperazin-1-ylpropanamide
CID 115407717
methyl (2R)-2-[[(2R)-2-[[(2R)-2-acetamidopropanoyl]amino]propanoyl]amino]propanoate
CID 36688580
N-[2-(4-methoxyphenyl)ethyl]-2-piperazin-1-ylpropanamide
CID 43130632
N-(4-aminophenyl)-2-piperazin-1-ylpropanamide
CID 82224554
3-methoxy-2-piperazin-1-ylbutanamide
CID 69091413

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-piperazin-1-ylpropanoylamino)propanoate?
The IUPAC name of methyl 2-(2-piperazin-1-ylpropanoylamino)propanoate (CID 54960724) is methyl 2-(2-piperazin-1-ylpropanoylamino)propanoate.
What is the SMILES notation for methyl 2-(2-piperazin-1-ylpropanoylamino)propanoate?
The canonical SMILES for methyl 2-(2-piperazin-1-ylpropanoylamino)propanoate is COC(=O)C(C)NC(=O)C(C)N1CCNCC1.
What is the InChIKey of methyl 2-(2-piperazin-1-ylpropanoylamino)propanoate?
The InChIKey is VTMIASQKWMQCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-8(11(16)17-3)13-10(15)9(2)14-6-4-12-5-7-14/h8-9,12H,4-7H2,1-3H3,(H,13,15).
What are the key properties of methyl 2-(2-piperazin-1-ylpropanoylamino)propanoate?
methyl 2-(2-piperazin-1-ylpropanoylamino)propanoate has a molecular weight of 243.31 g/mol, XLogP of -1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-piperazin-1-ylpropanoylamino)propanoate is sourced from PubChem (CID 54960724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).