2-cyclopropyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]acetic acid

C12H23N3O2 — CID 82891647

IUPAC2-cyclopropyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]acetic acid
SMILESCN1CCN(CCNC(C(=O)O)C2CC2)CC1
InChIInChI=1S/C12H23N3O2/c1-14-6-8-15(9-7-14)5-4-13-11(12(16)17)10-2-3-10/h10-11,13H,2-9H2,1H3,(H,16,17)
InChIKeyLBAIPADNMRPJRR-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.31
Rot. Bonds6

About 2-cyclopropyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]acetic acid

2-cyclopropyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]acetic acid (PubChem CID 82891647) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-cyclopropyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]acetic acid
PubChem CID82891647
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name2-cyclopropyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]acetic acid
SMILESCN1CCN(CCNC(C(=O)O)C2CC2)CC1
InChIInChI=1S/C12H23N3O2/c1-14-6-8-15(9-7-14)5-4-13-11(12(16)17)10-2-3-10/h10-11,13H,2-9H2,1H3,(H,16,17)
InChIKeyLBAIPADNMRPJRR-UHFFFAOYSA-N
XLogP-0.31
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-cyclopropyl-2-(2-piperidin-1-ylethylamino)acetate
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2-(butylamino)-2-cyclopropylacetic acid
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2-[3-(4-methylpiperazin-1-yl)propylamino]propanoic acid
CID 66172084
2-cyclopropyl-2-[(1-methylpyrrolidin-2-yl)methylamino]acetic acid
CID 106020198
(2R)-2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 78972093
3-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]butanamide
CID 106344756
2-cyclopropyl-2-[(1-methylpyrrolidin-3-yl)amino]acetic acid
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2-cyclopropyl-2-(3-propoxypropylamino)acetic acid
CID 103260755

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]acetic acid (CID 82891647) is 2-cyclopropyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]acetic acid is CN1CCN(CCNC(C(=O)O)C2CC2)CC1.
What is the InChIKey of 2-cyclopropyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]acetic acid?
The InChIKey is LBAIPADNMRPJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-14-6-8-15(9-7-14)5-4-13-11(12(16)17)10-2-3-10/h10-11,13H,2-9H2,1H3,(H,16,17).
What are the key properties of 2-cyclopropyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]acetic acid?
2-cyclopropyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]acetic acid has a molecular weight of 241.33 g/mol, XLogP of -0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]acetic acid is sourced from PubChem (CID 82891647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).