ethyl 4-[(2R)-2-amino-3-fluoropropanoyl]piperazine-1-carboxylate

C10H18FN3O3 — CID 66855318

IUPACethyl 4-[(2R)-2-amino-3-fluoropropanoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)[C@@H](N)CF)CC1
InChIInChI=1S/C10H18FN3O3/c1-2-17-10(16)14-5-3-13(4-6-14)9(15)8(12)7-11/h8H,2-7,12H2,1H3/t8-/m0/s1
InChIKeyMNUAFYLDBFYGGE-QMMMGPOBSA-N
MW247.27 g/mol
LogP-0.42
Rot. Bonds3

About ethyl 4-[(2R)-2-amino-3-fluoropropanoyl]piperazine-1-carboxylate

ethyl 4-[(2R)-2-amino-3-fluoropropanoyl]piperazine-1-carboxylate (PubChem CID 66855318) has the molecular formula C10H18FN3O3 and a molecular weight of 247.27 g/mol. Its IUPAC name is ethyl 4-[(2R)-2-amino-3-fluoropropanoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2R)-2-amino-3-fluoropropanoyl]piperazine-1-carboxylate
PubChem CID66855318
Molecular FormulaC10H18FN3O3
Molecular Weight247.27 g/mol
Exact Mass247.13
IUPAC Nameethyl 4-[(2R)-2-amino-3-fluoropropanoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)[C@@H](N)CF)CC1
InChIInChI=1S/C10H18FN3O3/c1-2-17-10(16)14-5-3-13(4-6-14)9(15)8(12)7-11/h8H,2-7,12H2,1H3/t8-/m0/s1
InChIKeyMNUAFYLDBFYGGE-QMMMGPOBSA-N
XLogP-0.42
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carboxylate
CID 8890899
Ethyl 2-methyl-1-piperazinecarboxylate
CID 14722554
N-butoxycarbonyl-3-methyl-piperazine
CID 58861614
2-Amino-1-(4-(2-fluoroethyl)piperazin-1-yl)propan-1-one
CID 59935068
4-(2-Amino-3-fluoro-butyryl)-piperazine-1-carboxylic acid propyl ester
CID 66854572
4-((S)-2-Amino-4,4,4-trifluoro-butyryl)-piperazine-1-carboxylic acid propyl ester
CID 66854617
Propyl 4-(2-amino-4,4,4-trifluorobutanoyl)piperazine-1-carboxylate
CID 66854618
Ethyl 4-(2-amino-3-fluoropropanoyl)piperazine-1-carboxylate
CID 66855319
4-((S)-2-Amino-4,4-difluoro-butyryl)piperazine-1-carboxylic acid butyl ester
CID 68598101
ethyl 4-[(2R)-2-amino-3-fluoropropanoyl]piperazine-1-carboxylate;2,2,2-trifluoroacetic acid
CID 68598102
Butyl 4-(2-amino-4,4-difluorobutanoyl)piperazine-1-carboxylate
CID 68598104
butyl 4-[(2R)-2-amino-3-fluoropropanoyl]piperazine-1-carboxylate;2,2,2-trifluoroacetic acid
CID 68598168

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2R)-2-amino-3-fluoropropanoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[(2R)-2-amino-3-fluoropropanoyl]piperazine-1-carboxylate (CID 66855318) is ethyl 4-[(2R)-2-amino-3-fluoropropanoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(2R)-2-amino-3-fluoropropanoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[(2R)-2-amino-3-fluoropropanoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)[C@@H](N)CF)CC1.
What is the InChIKey of ethyl 4-[(2R)-2-amino-3-fluoropropanoyl]piperazine-1-carboxylate?
The InChIKey is MNUAFYLDBFYGGE-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H18FN3O3/c1-2-17-10(16)14-5-3-13(4-6-14)9(15)8(12)7-11/h8H,2-7,12H2,1H3/t8-/m0/s1.
What are the key properties of ethyl 4-[(2R)-2-amino-3-fluoropropanoyl]piperazine-1-carboxylate?
ethyl 4-[(2R)-2-amino-3-fluoropropanoyl]piperazine-1-carboxylate has a molecular weight of 247.27 g/mol, XLogP of -0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2R)-2-amino-3-fluoropropanoyl]piperazine-1-carboxylate is sourced from PubChem (CID 66855318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).