4-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]-2,3-dimethyl-4-oxobutanoic acid

C14H25N3O4 — CID 103497635

IUPAC4-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]-2,3-dimethyl-4-oxobutanoic acid
SMILESCCNC(=O)CN1CCN(C(=O)C(C)C(C)C(=O)O)CC1
InChIInChI=1S/C14H25N3O4/c1-4-15-12(18)9-16-5-7-17(8-6-16)13(19)10(2)11(3)14(20)21/h10-11H,4-9H2,1-3H3,(H,15,18)(H,20,21)
InChIKeyKDVDYPDCROUHNK-UHFFFAOYSA-N
MW299.37 g/mol
LogP-0.38
Rot. Bonds6

About 4-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]-2,3-dimethyl-4-oxobutanoic acid

4-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]-2,3-dimethyl-4-oxobutanoic acid (PubChem CID 103497635) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]-2,3-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]-2,3-dimethyl-4-oxobutanoic acid
PubChem CID103497635
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name4-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]-2,3-dimethyl-4-oxobutanoic acid
SMILESCCNC(=O)CN1CCN(C(=O)C(C)C(C)C(=O)O)CC1
InChIInChI=1S/C14H25N3O4/c1-4-15-12(18)9-16-5-7-17(8-6-16)13(19)10(2)11(3)14(20)21/h10-11H,4-9H2,1-3H3,(H,15,18)(H,20,21)
InChIKeyKDVDYPDCROUHNK-UHFFFAOYSA-N
XLogP-0.38
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]-N-ethylacetamide
CID 54995847
2-[4-(2-amino-3-methylbutanoyl)piperazin-1-yl]-N-ethylacetamide
CID 54870603
4-[4-(2-amino-2-oxoethyl)-1,4-diazepan-1-yl]-2,3-dimethyl-4-oxobutanoic acid
CID 103497872
N-ethyl-2-[4-[3-(ethylamino)butanoyl]piperazin-1-yl]acetamide
CID 62837069
2-(azetidin-1-yl)-N-ethylacetamide
CID 129266397
2-[4-[2-(ethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]acetic acid
CID 55119243
N-ethyl-2-(4-prop-2-enoylpiperazin-1-yl)acetamide;hydrochloride
CID 173287477
2-[4-(2-amino-3-phenylpropanoyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride
CID 119843968
2-[4-[(2S)-2-amino-3-phenylpropanoyl]piperazin-1-yl]-N-ethylacetamide;dihydrochloride
CID 119843978
2-[4-(2-anilinoacetyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride
CID 119843992
2-methyl-3-oxo-3-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanoic acid
CID 114897489
ethane;N-ethyl-2-pyrrolidin-1-ylacetamide
CID 144584816

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]-2,3-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]-2,3-dimethyl-4-oxobutanoic acid (CID 103497635) is 4-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]-2,3-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]-2,3-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]-2,3-dimethyl-4-oxobutanoic acid is CCNC(=O)CN1CCN(C(=O)C(C)C(C)C(=O)O)CC1.
What is the InChIKey of 4-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]-2,3-dimethyl-4-oxobutanoic acid?
The InChIKey is KDVDYPDCROUHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-4-15-12(18)9-16-5-7-17(8-6-16)13(19)10(2)11(3)14(20)21/h10-11H,4-9H2,1-3H3,(H,15,18)(H,20,21).
What are the key properties of 4-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]-2,3-dimethyl-4-oxobutanoic acid?
4-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]-2,3-dimethyl-4-oxobutanoic acid has a molecular weight of 299.37 g/mol, XLogP of -0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]-2,3-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 103497635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).