3-[4-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]piperazin-1-yl]propanoic acid

C12H22N4O4 — CID 61196920

IUPAC3-[4-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]piperazin-1-yl]propanoic acid
SMILESCNC(=O)CN(C)C(=O)N1CCN(CCC(=O)O)CC1
InChIInChI=1S/C12H22N4O4/c1-13-10(17)9-14(2)12(20)16-7-5-15(6-8-16)4-3-11(18)19/h3-9H2,1-2H3,(H,13,17)(H,18,19)
InChIKeyFTCCJUDEVGNDBS-UHFFFAOYSA-N
MW286.33 g/mol
LogP-1.12
Rot. Bonds5

About 3-[4-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]piperazin-1-yl]propanoic acid

3-[4-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]piperazin-1-yl]propanoic acid (PubChem CID 61196920) has the molecular formula C12H22N4O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-[4-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]piperazin-1-yl]propanoic acid
PubChem CID61196920
Molecular FormulaC12H22N4O4
Molecular Weight286.33 g/mol
Exact Mass286.16
IUPAC Name3-[4-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]piperazin-1-yl]propanoic acid
SMILESCNC(=O)CN(C)C(=O)N1CCN(CCC(=O)O)CC1
InChIInChI=1S/C12H22N4O4/c1-13-10(17)9-14(2)12(20)16-7-5-15(6-8-16)4-3-11(18)19/h3-9H2,1-2H3,(H,13,17)(H,18,19)
InChIKeyFTCCJUDEVGNDBS-UHFFFAOYSA-N
XLogP-1.12
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[4-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]piperazin-1-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]piperazin-1-yl]propanoic acid
CID 61192445
3-[4-[2-methoxyethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 61428532
3-[4-(methylcarbamoyl)piperazin-1-yl]propanoic acid;hydrochloride
CID 138985460
3-[4,10-bis(carboxymethyl)-7-[3-(methylamino)-3-oxopropyl]-1,4,7,10-tetrazacyclododec-1-yl]propanoic acid
CID 122463672
2-[4-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]-1,4-diazepan-1-yl]acetic acid
CID 106917007
3-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]propanoic acid;hydrochloride
CID 56802011
4-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]-methylamino]butanoic acid
CID 43592289
3-[4-[cyclohexyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 61189432
3-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]propanoic acid
CID 43522243
3-[4-[methyl(thiophen-3-ylmethyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 61198108
4-methyl-1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 63719717
3-[4-[3-(carbamoylamino)-3-oxopropyl]piperazin-1-yl]propanoic acid
CID 43522354

Frequently Asked Questions

What is the IUPAC name of 3-[4-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]piperazin-1-yl]propanoic acid?
The IUPAC name of 3-[4-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]piperazin-1-yl]propanoic acid (CID 61196920) is 3-[4-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]piperazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]piperazin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]piperazin-1-yl]propanoic acid is CNC(=O)CN(C)C(=O)N1CCN(CCC(=O)O)CC1.
What is the InChIKey of 3-[4-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]piperazin-1-yl]propanoic acid?
The InChIKey is FTCCJUDEVGNDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O4/c1-13-10(17)9-14(2)12(20)16-7-5-15(6-8-16)4-3-11(18)19/h3-9H2,1-2H3,(H,13,17)(H,18,19).
What are the key properties of 3-[4-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]piperazin-1-yl]propanoic acid?
3-[4-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]piperazin-1-yl]propanoic acid has a molecular weight of 286.33 g/mol, XLogP of -1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]piperazin-1-yl]propanoic acid is sourced from PubChem (CID 61196920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).