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

C12H21N3O3 — CID 61162529

IUPAC2-cyclopropyl-2-[(2-piperazin-1-ylacetyl)amino]propanoic acid
SMILESCC(NC(=O)CN1CCNCC1)(C(=O)O)C1CC1
InChIInChI=1S/C12H21N3O3/c1-12(11(17)18,9-2-3-9)14-10(16)8-15-6-4-13-5-7-15/h9,13H,2-8H2,1H3,(H,14,16)(H,17,18)
InChIKeyRXGWNNDXYSBVMU-UHFFFAOYSA-N
MW255.32 g/mol
LogP-0.74
Rot. Bonds5

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

2-cyclopropyl-2-[(2-piperazin-1-ylacetyl)amino]propanoic acid (PubChem CID 61162529) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(2-piperazin-1-ylacetyl)amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(2-piperazin-1-ylacetyl)amino]propanoic acid
PubChem CID61162529
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name2-cyclopropyl-2-[(2-piperazin-1-ylacetyl)amino]propanoic acid
SMILESCC(NC(=O)CN1CCNCC1)(C(=O)O)C1CC1
InChIInChI=1S/C12H21N3O3/c1-12(11(17)18,9-2-3-9)14-10(16)8-15-6-4-13-5-7-15/h9,13H,2-8H2,1H3,(H,14,16)(H,17,18)
InChIKeyRXGWNNDXYSBVMU-UHFFFAOYSA-N
XLogP-0.74
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-[4-[2-(tert-butylamino)-2-oxoethyl]-7-(2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 155476712
2-cyclopropyl-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid
CID 43360305
2-cyclopropyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 43360373
2-[[2-(tert-butylamino)acetyl]amino]-2-cyclopropylpropanoic acid
CID 79256381
N-methyl-2-[7-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 10615193
2-(1,4-diazepan-1-yl)-N-(2-methylbutan-2-yl)acetamide;hydrochloride
CID 119906765
N-iodo-2-piperazin-1-ylacetamide
CID 171526171
(2S)-2-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]amino]-2-cyclopropylpropanoic acid
CID 124698958
2-(4-aminobutanoylamino)-2-cyclopropylpropanoic acid
CID 61159841
N-(cyclobutylmethyl)-2-piperazin-1-ylacetamide
CID 43298878
N-acetyl-2-piperazin-1-ylacetamide
CID 67050352
2,2-dimethyl-4-piperazin-1-ylbutanoic acid;hydrochloride
CID 174708967

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(2-piperazin-1-ylacetyl)amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[(2-piperazin-1-ylacetyl)amino]propanoic acid (CID 61162529) is 2-cyclopropyl-2-[(2-piperazin-1-ylacetyl)amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(2-piperazin-1-ylacetyl)amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[(2-piperazin-1-ylacetyl)amino]propanoic acid is CC(NC(=O)CN1CCNCC1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[(2-piperazin-1-ylacetyl)amino]propanoic acid?
The InChIKey is RXGWNNDXYSBVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-12(11(17)18,9-2-3-9)14-10(16)8-15-6-4-13-5-7-15/h9,13H,2-8H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 2-cyclopropyl-2-[(2-piperazin-1-ylacetyl)amino]propanoic acid?
2-cyclopropyl-2-[(2-piperazin-1-ylacetyl)amino]propanoic acid has a molecular weight of 255.32 g/mol, XLogP of -0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(2-piperazin-1-ylacetyl)amino]propanoic acid is sourced from PubChem (CID 61162529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).