2-[(1,4-dimethylpiperazin-2-yl)methylcarbamoyl-ethylamino]-2-methylpropanoic acid

C14H28N4O3 — CID 63897494

IUPAC2-[(1,4-dimethylpiperazin-2-yl)methylcarbamoyl-ethylamino]-2-methylpropanoic acid
SMILESCCN(C(=O)NCC1CN(C)CCN1C)C(C)(C)C(=O)O
InChIInChI=1S/C14H28N4O3/c1-6-18(14(2,3)12(19)20)13(21)15-9-11-10-16(4)7-8-17(11)5/h11H,6-10H2,1-5H3,(H,15,21)(H,19,20)
InChIKeySPPOJDVNLARILJ-UHFFFAOYSA-N
MW300.40 g/mol
LogP0.13
Rot. Bonds5

About 2-[(1,4-dimethylpiperazin-2-yl)methylcarbamoyl-ethylamino]-2-methylpropanoic acid

2-[(1,4-dimethylpiperazin-2-yl)methylcarbamoyl-ethylamino]-2-methylpropanoic acid (PubChem CID 63897494) has the molecular formula C14H28N4O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-[(1,4-dimethylpiperazin-2-yl)methylcarbamoyl-ethylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(1,4-dimethylpiperazin-2-yl)methylcarbamoyl-ethylamino]-2-methylpropanoic acid
PubChem CID63897494
Molecular FormulaC14H28N4O3
Molecular Weight300.40 g/mol
Exact Mass300.22
IUPAC Name2-[(1,4-dimethylpiperazin-2-yl)methylcarbamoyl-ethylamino]-2-methylpropanoic acid
SMILESCCN(C(=O)NCC1CN(C)CCN1C)C(C)(C)C(=O)O
InChIInChI=1S/C14H28N4O3/c1-6-18(14(2,3)12(19)20)13(21)15-9-11-10-16(4)7-8-17(11)5/h11H,6-10H2,1-5H3,(H,15,21)(H,19,20)
InChIKeySPPOJDVNLARILJ-UHFFFAOYSA-N
XLogP0.13
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]amino]-2-methylpropanoic acid
CID 62821275
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-hydroxy-2,3-dimethylbutanamide
CID 154789742
2-[ethyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 83020326
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(ethylamino)-2-methylpropanamide
CID 63898421
2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylpentanamide
CID 63896376
2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide
CID 79811012
2-cyano-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylbutanamide
CID 113270370
2-[(1,4-dimethylpiperazin-2-yl)methylcarbamoyl-prop-2-ynylamino]acetic acid
CID 79284324
ethyl 2-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]acetate
CID 63896961
4-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66002437
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(methylamino)acetamide
CID 63898995
2-(cyclopropylamino)-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide
CID 63896375

Frequently Asked Questions

What is the IUPAC name of 2-[(1,4-dimethylpiperazin-2-yl)methylcarbamoyl-ethylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(1,4-dimethylpiperazin-2-yl)methylcarbamoyl-ethylamino]-2-methylpropanoic acid (CID 63897494) is 2-[(1,4-dimethylpiperazin-2-yl)methylcarbamoyl-ethylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(1,4-dimethylpiperazin-2-yl)methylcarbamoyl-ethylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(1,4-dimethylpiperazin-2-yl)methylcarbamoyl-ethylamino]-2-methylpropanoic acid is CCN(C(=O)NCC1CN(C)CCN1C)C(C)(C)C(=O)O.
What is the InChIKey of 2-[(1,4-dimethylpiperazin-2-yl)methylcarbamoyl-ethylamino]-2-methylpropanoic acid?
The InChIKey is SPPOJDVNLARILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O3/c1-6-18(14(2,3)12(19)20)13(21)15-9-11-10-16(4)7-8-17(11)5/h11H,6-10H2,1-5H3,(H,15,21)(H,19,20).
What are the key properties of 2-[(1,4-dimethylpiperazin-2-yl)methylcarbamoyl-ethylamino]-2-methylpropanoic acid?
2-[(1,4-dimethylpiperazin-2-yl)methylcarbamoyl-ethylamino]-2-methylpropanoic acid has a molecular weight of 300.40 g/mol, XLogP of 0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,4-dimethylpiperazin-2-yl)methylcarbamoyl-ethylamino]-2-methylpropanoic acid is sourced from PubChem (CID 63897494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).