2-[4-[methyl(3-methylbutan-2-yl)carbamoyl]piperazin-1-yl]acetic acid

C13H25N3O3 — CID 61200830

IUPAC2-[4-[methyl(3-methylbutan-2-yl)carbamoyl]piperazin-1-yl]acetic acid
SMILESCC(C)C(C)N(C)C(=O)N1CCN(CC(=O)O)CC1
InChIInChI=1S/C13H25N3O3/c1-10(2)11(3)14(4)13(19)16-7-5-15(6-8-16)9-12(17)18/h10-11H,5-9H2,1-4H3,(H,17,18)
InChIKeyOEFWGEYOANMXRL-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.78
Rot. Bonds4

About 2-[4-[methyl(3-methylbutan-2-yl)carbamoyl]piperazin-1-yl]acetic acid

2-[4-[methyl(3-methylbutan-2-yl)carbamoyl]piperazin-1-yl]acetic acid (PubChem CID 61200830) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[4-[methyl(3-methylbutan-2-yl)carbamoyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[methyl(3-methylbutan-2-yl)carbamoyl]piperazin-1-yl]acetic acid
PubChem CID61200830
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name2-[4-[methyl(3-methylbutan-2-yl)carbamoyl]piperazin-1-yl]acetic acid
SMILESCC(C)C(C)N(C)C(=O)N1CCN(CC(=O)O)CC1
InChIInChI=1S/C13H25N3O3/c1-10(2)11(3)14(4)13(19)16-7-5-15(6-8-16)9-12(17)18/h10-11H,5-9H2,1-4H3,(H,17,18)
InChIKeyOEFWGEYOANMXRL-UHFFFAOYSA-N
XLogP0.78
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-[methyl(3-methylbutan-2-yl)carbamoyl]piperazin-1-yl]acetic 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

2-[4-(dimethylcarbamoyl)-1,4-diazepan-1-yl]acetic acid
CID 62825178
2-[4-[2-(dimethylamino)ethyl-methylcarbamoyl]-1,4-diazepan-1-yl]acetic acid
CID 63699766
2-[4-[(2-amino-2-oxoethyl)-ethylcarbamoyl]piperazin-1-yl]acetic acid
CID 103103574
4,7-bis(carboxymethyl)-10-[2-(dimethylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododecane-1-carboxylic acid
CID 20603350
1-[methyl(3-methylbutan-2-yl)carbamoyl]piperidine-4-carboxylic acid
CID 43570510
2-[4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]piperazin-1-yl]acetic acid
CID 61465895
2-[4-[cyclopentylmethyl(methyl)carbamoyl]piperazin-1-yl]acetic acid
CID 63657971
copper 2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid
CID 6398176
2-[4-[2-(methylamino)propanoyl]piperazin-1-yl]acetic acid
CID 62638618
2-[4,10-bis(carboxymethyl)-7-(3-methylbutan-2-yl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;formic acid
CID 177168560
2-[4-(2-methylpropyl)piperazin-1-yl]acetic acid;dihydrochloride
CID 53420787
2-[7-(carboxymethyl)-4,10-bis(2-hydroxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 15798973

Frequently Asked Questions

What is the IUPAC name of 2-[4-[methyl(3-methylbutan-2-yl)carbamoyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[methyl(3-methylbutan-2-yl)carbamoyl]piperazin-1-yl]acetic acid (CID 61200830) is 2-[4-[methyl(3-methylbutan-2-yl)carbamoyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[methyl(3-methylbutan-2-yl)carbamoyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[methyl(3-methylbutan-2-yl)carbamoyl]piperazin-1-yl]acetic acid is CC(C)C(C)N(C)C(=O)N1CCN(CC(=O)O)CC1.
What is the InChIKey of 2-[4-[methyl(3-methylbutan-2-yl)carbamoyl]piperazin-1-yl]acetic acid?
The InChIKey is OEFWGEYOANMXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-10(2)11(3)14(4)13(19)16-7-5-15(6-8-16)9-12(17)18/h10-11H,5-9H2,1-4H3,(H,17,18).
What are the key properties of 2-[4-[methyl(3-methylbutan-2-yl)carbamoyl]piperazin-1-yl]acetic acid?
2-[4-[methyl(3-methylbutan-2-yl)carbamoyl]piperazin-1-yl]acetic acid has a molecular weight of 271.36 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[methyl(3-methylbutan-2-yl)carbamoyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 61200830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).