ethyl 4-[2-(methylamino)propanoyl]piperazine-1-carboxylate

C11H21N3O3 — CID 60718933

IUPACethyl 4-[2-(methylamino)propanoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C(C)NC)CC1
InChIInChI=1S/C11H21N3O3/c1-4-17-11(16)14-7-5-13(6-8-14)10(15)9(2)12-3/h9,12H,4-8H2,1-3H3
InChIKeyUHENBOVHMKFKAO-UHFFFAOYSA-N
MW243.31 g/mol
LogP-0.10
Rot. Bonds3

About ethyl 4-[2-(methylamino)propanoyl]piperazine-1-carboxylate

ethyl 4-[2-(methylamino)propanoyl]piperazine-1-carboxylate (PubChem CID 60718933) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is ethyl 4-[2-(methylamino)propanoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(methylamino)propanoyl]piperazine-1-carboxylate
PubChem CID60718933
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Nameethyl 4-[2-(methylamino)propanoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C(C)NC)CC1
InChIInChI=1S/C11H21N3O3/c1-4-17-11(16)14-7-5-13(6-8-14)10(15)9(2)12-3/h9,12H,4-8H2,1-3H3
InChIKeyUHENBOVHMKFKAO-UHFFFAOYSA-N
XLogP-0.10
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[(2S)-2-(2-ethylbutanoylamino)propanoyl]piperazine-1-carboxylate
CID 110348482
ethyl 4-(3-amino-2-methylpropanoyl)piperazine-1-carboxylate
CID 62670367
ethyl 4-(2-amino-3-methylpentanoyl)piperazine-1-carboxylate
CID 61041155
ethyl 4-[(2S)-2-benzamidopropanoyl]piperazine-1-carboxylate
CID 2667430
1-(azetidin-1-yl)-2-(methylamino)propan-1-one
CID 130546947
ethyl 4-[2-(methylamino)acetyl]piperazine-1-carboxylate
CID 54773405
ethyl 4-[(2S)-2-[(4-ethylphenyl)sulfonylamino]propanoyl]piperazine-1-carboxylate
CID 110348536
(2S)-2-[(4-ethoxycarbonylpiperazine-1-carbonyl)amino]propanoic acid
CID 28508379
ethyl 4-(1-methoxy-1-oxopropan-2-yl)piperazine-1-carboxylate
CID 3788456
2-[4-[2-(methylamino)propanoyl]piperazin-1-yl]acetic acid
CID 62638618
ethyl 4-[(2R)-1-methoxy-1-oxopropan-2-yl]piperazine-1-carboxylate
CID 40525482
2-(methylamino)-1-(4-methylidenepiperidin-1-yl)propan-1-one
CID 127006772

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(methylamino)propanoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(methylamino)propanoyl]piperazine-1-carboxylate (CID 60718933) is ethyl 4-[2-(methylamino)propanoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(methylamino)propanoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(methylamino)propanoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)C(C)NC)CC1.
What is the InChIKey of ethyl 4-[2-(methylamino)propanoyl]piperazine-1-carboxylate?
The InChIKey is UHENBOVHMKFKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-4-17-11(16)14-7-5-13(6-8-14)10(15)9(2)12-3/h9,12H,4-8H2,1-3H3.
What are the key properties of ethyl 4-[2-(methylamino)propanoyl]piperazine-1-carboxylate?
ethyl 4-[2-(methylamino)propanoyl]piperazine-1-carboxylate has a molecular weight of 243.31 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(methylamino)propanoyl]piperazine-1-carboxylate is sourced from PubChem (CID 60718933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).