ethyl 4-(2-amino-3-methylpentanoyl)piperazine-1-carboxylate

C13H25N3O3 — CID 61041155

IUPACethyl 4-(2-amino-3-methylpentanoyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C(N)C(C)CC)CC1
InChIInChI=1S/C13H25N3O3/c1-4-10(3)11(14)12(17)15-6-8-16(9-7-15)13(18)19-5-2/h10-11H,4-9,14H2,1-3H3
InChIKeyGDAHXKGFTDBIQI-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.66
Rot. Bonds4

About ethyl 4-(2-amino-3-methylpentanoyl)piperazine-1-carboxylate

ethyl 4-(2-amino-3-methylpentanoyl)piperazine-1-carboxylate (PubChem CID 61041155) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is ethyl 4-(2-amino-3-methylpentanoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-amino-3-methylpentanoyl)piperazine-1-carboxylate
PubChem CID61041155
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Nameethyl 4-(2-amino-3-methylpentanoyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C(N)C(C)CC)CC1
InChIInChI=1S/C13H25N3O3/c1-4-10(3)11(14)12(17)15-6-8-16(9-7-15)13(18)19-5-2/h10-11H,4-9,14H2,1-3H3
InChIKeyGDAHXKGFTDBIQI-UHFFFAOYSA-N
XLogP0.66
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-2-amino-1-[4-[(2S,3S)-2-amino-3-methylpentanoyl]piperazin-1-yl]-3-methylpentan-1-one
CID 10667783
2-amino-3-methyl-1-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]pentan-1-one;hydrochloride
CID 119738906
(2S)-2-amino-1-(4-tert-butylpiperazin-1-yl)-3-methylpentan-1-one
CID 61430696
1-(4-acetyl-1,4-diazepan-1-yl)-2-amino-3-methylpentan-1-one;hydrochloride
CID 119399357
2-amino-1-(4-tert-butylpiperazin-1-yl)-3-methylpentan-1-one
CID 61430985
2-amino-1-(4-cyclopropylpiperazin-1-yl)-3-methylpentan-1-one
CID 54874275
2-[4-[(2S)-2-amino-3-methylpentanoyl]piperazin-1-yl]acetic acid
CID 61173409
ethyl 4-(3-amino-2-methylpropanoyl)piperazine-1-carboxylate
CID 62670367
2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-methylpentan-1-one
CID 103810273
ethyl 4-[2-(methylamino)propanoyl]piperazine-1-carboxylate
CID 60718933
(2S,3S)-2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-3-methylpentan-1-one
CID 63160102
ethyl 4-(2,4-diamino-4-oxobutanoyl)piperazine-1-carboxylate
CID 54916787

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-amino-3-methylpentanoyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(2-amino-3-methylpentanoyl)piperazine-1-carboxylate (CID 61041155) is ethyl 4-(2-amino-3-methylpentanoyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2-amino-3-methylpentanoyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(2-amino-3-methylpentanoyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)C(N)C(C)CC)CC1.
What is the InChIKey of ethyl 4-(2-amino-3-methylpentanoyl)piperazine-1-carboxylate?
The InChIKey is GDAHXKGFTDBIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-4-10(3)11(14)12(17)15-6-8-16(9-7-15)13(18)19-5-2/h10-11H,4-9,14H2,1-3H3.
What are the key properties of ethyl 4-(2-amino-3-methylpentanoyl)piperazine-1-carboxylate?
ethyl 4-(2-amino-3-methylpentanoyl)piperazine-1-carboxylate has a molecular weight of 271.36 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-amino-3-methylpentanoyl)piperazine-1-carboxylate is sourced from PubChem (CID 61041155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).