2-[ethyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]-2-methylpropanoic acid

C12H24N4O3 — CID 83020326

IUPAC2-[ethyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(C(=O)NN1CCN(C)CC1)C(C)(C)C(=O)O
InChIInChI=1S/C12H24N4O3/c1-5-16(12(2,3)10(17)18)11(19)13-15-8-6-14(4)7-9-15/h5-9H2,1-4H3,(H,13,19)(H,17,18)
InChIKeyQPWXVQYWAIZBTJ-UHFFFAOYSA-N
MW272.35 g/mol
LogP0.04
Rot. Bonds4

About 2-[ethyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]-2-methylpropanoic acid

2-[ethyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]-2-methylpropanoic acid (PubChem CID 83020326) has the molecular formula C12H24N4O3 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[ethyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]-2-methylpropanoic acid
PubChem CID83020326
Molecular FormulaC12H24N4O3
Molecular Weight272.35 g/mol
Exact Mass272.18
IUPAC Name2-[ethyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(C(=O)NN1CCN(C)CC1)C(C)(C)C(=O)O
InChIInChI=1S/C12H24N4O3/c1-5-16(12(2,3)10(17)18)11(19)13-15-8-6-14(4)7-9-15/h5-9H2,1-4H3,(H,13,19)(H,17,18)
InChIKeyQPWXVQYWAIZBTJ-UHFFFAOYSA-N
XLogP0.04
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1,4-dimethylpiperazin-2-yl)methylcarbamoyl-ethylamino]-2-methylpropanoic acid
CID 63897494
2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-ethylamino]-2-methylpropanoic acid
CID 83019830
2-[ethyl-[(2-methylcyclopropyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62819971
2-[(1,1-dioxothian-4-yl)carbamoyl-ethylamino]-2-methylpropanoic acid
CID 62822169
2-[ethyl(2-methylprop-2-enylcarbamoyl)amino]-2-methylpropanoic acid
CID 114618190
2-[2-cyclopropylpropan-2-ylcarbamoyl(ethyl)amino]-2-methylpropanoic acid
CID 114111563
2-[ethyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 62820413
2-[ethyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 55123375
2-[ethyl-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]amino]-2-methylpropanoic acid
CID 62821275
2-[ethyl-[(5-oxopyrrolidin-3-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 106191674
2-[ethyl-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]amino]-2-methylpropanoic acid
CID 114114333
N-(4-methylpiperazin-1-yl)butanamide
CID 4129194

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]-2-methylpropanoic acid (CID 83020326) is 2-[ethyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]-2-methylpropanoic acid is CCN(C(=O)NN1CCN(C)CC1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is QPWXVQYWAIZBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O3/c1-5-16(12(2,3)10(17)18)11(19)13-15-8-6-14(4)7-9-15/h5-9H2,1-4H3,(H,13,19)(H,17,18).
What are the key properties of 2-[ethyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]-2-methylpropanoic acid?
2-[ethyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]-2-methylpropanoic acid has a molecular weight of 272.35 g/mol, XLogP of 0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 83020326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).