2-[4-(3-aminopropyl)piperazin-1-yl]acetic acid

C9H19N3O2 — CID 63653557

IUPAC2-[4-(3-aminopropyl)piperazin-1-yl]acetic acid
SMILESNCCCN1CCN(CC(=O)O)CC1
InChIInChI=1S/C9H19N3O2/c10-2-1-3-11-4-6-12(7-5-11)8-9(13)14/h1-8,10H2,(H,13,14)
InChIKeyIATQQDRQYWIYNR-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.96
Rot. Bonds5

About 2-[4-(3-aminopropyl)piperazin-1-yl]acetic acid

2-[4-(3-aminopropyl)piperazin-1-yl]acetic acid (PubChem CID 63653557) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[4-(3-aminopropyl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-aminopropyl)piperazin-1-yl]acetic acid
PubChem CID63653557
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name2-[4-(3-aminopropyl)piperazin-1-yl]acetic acid
SMILESNCCCN1CCN(CC(=O)O)CC1
InChIInChI=1S/C9H19N3O2/c10-2-1-3-11-4-6-12(7-5-11)8-9(13)14/h1-8,10H2,(H,13,14)
InChIKeyIATQQDRQYWIYNR-UHFFFAOYSA-N
XLogP-0.96
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(4-aminobutyl)piperazin-1-yl]butanoic acid
CID 59708799
copper 2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid
CID 6398176
3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;hydrochloride
CID 54610574
2-(4-butyl-1,4-diazepan-1-yl)acetic acid
CID 62825221
3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;hexanedioate
CID 21124417
5-amino-2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoic acid;gadolinium
CID 87359298
2-[7-(2-amino-2-oxoethyl)-4-(carboxymethyl)-10-(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 170255326
2-[4-(4-aminobutyl)piperazin-1-yl]-N-carbamoylacetamide
CID 43252755
2-[4-(5-aminopentyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 43253082
2-[7-(carboxymethyl)-4,10-dimethyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;ethane
CID 169258644
2-[4-(3-aminopropyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492440
2-[4-(3-aminopropyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 43251325

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminopropyl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-(3-aminopropyl)piperazin-1-yl]acetic acid (CID 63653557) is 2-[4-(3-aminopropyl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(3-aminopropyl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(3-aminopropyl)piperazin-1-yl]acetic acid is NCCCN1CCN(CC(=O)O)CC1.
What is the InChIKey of 2-[4-(3-aminopropyl)piperazin-1-yl]acetic acid?
The InChIKey is IATQQDRQYWIYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c10-2-1-3-11-4-6-12(7-5-11)8-9(13)14/h1-8,10H2,(H,13,14).
What are the key properties of 2-[4-(3-aminopropyl)piperazin-1-yl]acetic acid?
2-[4-(3-aminopropyl)piperazin-1-yl]acetic acid has a molecular weight of 201.27 g/mol, XLogP of -0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-aminopropyl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 63653557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).