2-[cyclopentyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]acetic acid

C13H24N4O3 — CID 83019600

IUPAC2-[cyclopentyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]acetic acid
SMILESCN1CCN(NC(=O)N(CC(=O)O)C2CCCC2)CC1
InChIInChI=1S/C13H24N4O3/c1-15-6-8-16(9-7-15)14-13(20)17(10-12(18)19)11-4-2-3-5-11/h11H,2-10H2,1H3,(H,14,20)(H,18,19)
InChIKeyYAGQRDKYZHWJDD-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.19
Rot. Bonds4

About 2-[cyclopentyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]acetic acid

2-[cyclopentyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]acetic acid (PubChem CID 83019600) has the molecular formula C13H24N4O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[cyclopentyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]acetic acid
PubChem CID83019600
Molecular FormulaC13H24N4O3
Molecular Weight284.36 g/mol
Exact Mass284.18
IUPAC Name2-[cyclopentyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]acetic acid
SMILESCN1CCN(NC(=O)N(CC(=O)O)C2CCCC2)CC1
InChIInChI=1S/C13H24N4O3/c1-15-6-8-16(9-7-15)14-13(20)17(10-12(18)19)11-4-2-3-5-11/h11H,2-10H2,1H3,(H,14,20)(H,18,19)
InChIKeyYAGQRDKYZHWJDD-UHFFFAOYSA-N
XLogP0.19
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]acetic acid (CID 83019600) is 2-[cyclopentyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]acetic acid is CN1CCN(NC(=O)N(CC(=O)O)C2CCCC2)CC1.
What is the InChIKey of 2-[cyclopentyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]acetic acid?
The InChIKey is YAGQRDKYZHWJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3/c1-15-6-8-16(9-7-15)14-13(20)17(10-12(18)19)11-4-2-3-5-11/h11H,2-10H2,1H3,(H,14,20)(H,18,19).
What are the key properties of 2-[cyclopentyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]acetic acid?
2-[cyclopentyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]acetic acid has a molecular weight of 284.36 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 83019600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).