3-[4-(dimethylcarbamoyl)piperazin-1-yl]-3-oxopropanoic acid

C10H17N3O4 — CID 62231766

IUPAC3-[4-(dimethylcarbamoyl)piperazin-1-yl]-3-oxopropanoic acid
SMILESCN(C)C(=O)N1CCN(C(=O)CC(=O)O)CC1
InChIInChI=1S/C10H17N3O4/c1-11(2)10(17)13-5-3-12(4-6-13)8(14)7-9(15)16/h3-7H2,1-2H3,(H,15,16)
InChIKeyUCXZXROYKBDGER-UHFFFAOYSA-N
MW243.26 g/mol
LogP-0.71
Rot. Bonds2

About 3-[4-(dimethylcarbamoyl)piperazin-1-yl]-3-oxopropanoic acid

3-[4-(dimethylcarbamoyl)piperazin-1-yl]-3-oxopropanoic acid (PubChem CID 62231766) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is 3-[4-(dimethylcarbamoyl)piperazin-1-yl]-3-oxopropanoic acid.

Molecular Properties

Compound Name3-[4-(dimethylcarbamoyl)piperazin-1-yl]-3-oxopropanoic acid
PubChem CID62231766
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name3-[4-(dimethylcarbamoyl)piperazin-1-yl]-3-oxopropanoic acid
SMILESCN(C)C(=O)N1CCN(C(=O)CC(=O)O)CC1
InChIInChI=1S/C10H17N3O4/c1-11(2)10(17)13-5-3-12(4-6-13)8(14)7-9(15)16/h3-7H2,1-2H3,(H,15,16)
InChIKeyUCXZXROYKBDGER-UHFFFAOYSA-N
XLogP-0.71
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

5-[4-(dimethylcarbamoyl)piperazin-1-yl]-3,3-dimethyl-5-oxopentanoic acid
CID 62935437
4-(2-methoxyacetyl)-N,N-dimethylpiperazine-1-carboxamide
CID 60757389
4-[2-[(2-aminoacetyl)amino]acetyl]-N,N-dimethylpiperazine-1-carboxamide
CID 54872734
2-[4-(dimethylcarbamoyl)-1,4-diazepan-1-yl]acetic acid
CID 62825178
3-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-3-oxopropanoic acid
CID 62229912
4-[2-(2-methoxyethoxy)acetyl]-N,N-dimethylpiperazine-1-carboxamide
CID 108570063
N,N-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide
CID 52542447
4-(3-benzamidobutanoyl)-N,N-dimethylpiperazine-1-carboxamide
CID 86981010
N,N-dimethyl-4-[2-(4-methylphenyl)acetyl]piperazine-1-carboxamide
CID 110365768
N,N-dimethyl-4-prop-2-enoylpiperazine-1-carboxamide
CID 60949594
3-(1,1-dioxo-1,4-thiazinan-4-yl)-3-oxopropanoic acid
CID 62230712
4-amino-1-(dimethylcarbamoyl)piperidine-4-carboxylic acid
CID 83266479

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylcarbamoyl)piperazin-1-yl]-3-oxopropanoic acid?
The IUPAC name of 3-[4-(dimethylcarbamoyl)piperazin-1-yl]-3-oxopropanoic acid (CID 62231766) is 3-[4-(dimethylcarbamoyl)piperazin-1-yl]-3-oxopropanoic acid.
What is the SMILES notation for 3-[4-(dimethylcarbamoyl)piperazin-1-yl]-3-oxopropanoic acid?
The canonical SMILES for 3-[4-(dimethylcarbamoyl)piperazin-1-yl]-3-oxopropanoic acid is CN(C)C(=O)N1CCN(C(=O)CC(=O)O)CC1.
What is the InChIKey of 3-[4-(dimethylcarbamoyl)piperazin-1-yl]-3-oxopropanoic acid?
The InChIKey is UCXZXROYKBDGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-11(2)10(17)13-5-3-12(4-6-13)8(14)7-9(15)16/h3-7H2,1-2H3,(H,15,16).
What are the key properties of 3-[4-(dimethylcarbamoyl)piperazin-1-yl]-3-oxopropanoic acid?
3-[4-(dimethylcarbamoyl)piperazin-1-yl]-3-oxopropanoic acid has a molecular weight of 243.26 g/mol, XLogP of -0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylcarbamoyl)piperazin-1-yl]-3-oxopropanoic acid is sourced from PubChem (CID 62231766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).