2-[(2-piperazin-1-ylacetyl)amino]propanoic acid

C9H17N3O3 — CID 61157899

IUPAC2-[(2-piperazin-1-ylacetyl)amino]propanoic acid
SMILESCC(NC(=O)CN1CCNCC1)C(=O)O
InChIInChI=1S/C9H17N3O3/c1-7(9(14)15)11-8(13)6-12-4-2-10-3-5-12/h7,10H,2-6H2,1H3,(H,11,13)(H,14,15)
InChIKeyKOQFISGIOLUWEL-UHFFFAOYSA-N
MW215.25 g/mol
LogP-1.52
Rot. Bonds4

About 2-[(2-piperazin-1-ylacetyl)amino]propanoic acid

2-[(2-piperazin-1-ylacetyl)amino]propanoic acid (PubChem CID 61157899) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-[(2-piperazin-1-ylacetyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(2-piperazin-1-ylacetyl)amino]propanoic acid
PubChem CID61157899
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name2-[(2-piperazin-1-ylacetyl)amino]propanoic acid
SMILESCC(NC(=O)CN1CCNCC1)C(=O)O
InChIInChI=1S/C9H17N3O3/c1-7(9(14)15)11-8(13)6-12-4-2-10-3-5-12/h7,10H,2-6H2,1H3,(H,11,13)(H,14,15)
InChIKeyKOQFISGIOLUWEL-UHFFFAOYSA-N
XLogP-1.52
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-1.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[(2-piperazin-1-ylacetyl)amino]propanamide
CID 61467729
(2R)-4-methyl-2-[(2-piperazin-1-ylacetyl)amino]pentanoic acid
CID 78975617
(2R)-4-hydroxy-2-[(2-piperazin-1-ylacetyl)amino]butanoic acid
CID 114005249
(2R)-2-[(2-piperazin-1-ylacetyl)amino]pentanoic acid
CID 103869909
N-methyl-2-[7-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 10615193
N-(1-phenylethyl)-2-piperazin-1-ylacetamide
CID 23080516
2-(1,4-diazepan-1-yl)-N-(3-methylbutan-2-yl)acetamide;hydrochloride
CID 119906862
2-[4,7-bis[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 11285246
N-(1-methoxy-3-methylbutan-2-yl)-2-piperazin-1-ylacetamide
CID 65049341
(2R)-2-(piperazine-1-carbonylamino)propanoic acid
CID 78972178
5-[[2-(1,4-diazepan-1-yl)acetyl]amino]hexanoic acid
CID 82846036
3-[[2-(1,4-diazepan-1-yl)acetyl]amino]-2-methylpropanoic acid
CID 62833118

Frequently Asked Questions

What is the IUPAC name of 2-[(2-piperazin-1-ylacetyl)amino]propanoic acid?
The IUPAC name of 2-[(2-piperazin-1-ylacetyl)amino]propanoic acid (CID 61157899) is 2-[(2-piperazin-1-ylacetyl)amino]propanoic acid.
What is the SMILES notation for 2-[(2-piperazin-1-ylacetyl)amino]propanoic acid?
The canonical SMILES for 2-[(2-piperazin-1-ylacetyl)amino]propanoic acid is CC(NC(=O)CN1CCNCC1)C(=O)O.
What is the InChIKey of 2-[(2-piperazin-1-ylacetyl)amino]propanoic acid?
The InChIKey is KOQFISGIOLUWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-7(9(14)15)11-8(13)6-12-4-2-10-3-5-12/h7,10H,2-6H2,1H3,(H,11,13)(H,14,15).
What are the key properties of 2-[(2-piperazin-1-ylacetyl)amino]propanoic acid?
2-[(2-piperazin-1-ylacetyl)amino]propanoic acid has a molecular weight of 215.25 g/mol, XLogP of -1.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-piperazin-1-ylacetyl)amino]propanoic acid is sourced from PubChem (CID 61157899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).