2-[methyl(piperazine-1-carbonyl)amino]propanoic acid

C9H17N3O3 — CID 62639572

IUPAC2-[methyl(piperazine-1-carbonyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)N1CCNCC1
InChIInChI=1S/C9H17N3O3/c1-7(8(13)14)11(2)9(15)12-5-3-10-4-6-12/h7,10H,3-6H2,1-2H3,(H,13,14)
InChIKeyYWFDNKVOYZFIEG-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.58
Rot. Bonds2

About 2-[methyl(piperazine-1-carbonyl)amino]propanoic acid

2-[methyl(piperazine-1-carbonyl)amino]propanoic acid (PubChem CID 62639572) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-[methyl(piperazine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl(piperazine-1-carbonyl)amino]propanoic acid
PubChem CID62639572
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name2-[methyl(piperazine-1-carbonyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)N1CCNCC1
InChIInChI=1S/C9H17N3O3/c1-7(8(13)14)11(2)9(15)12-5-3-10-4-6-12/h7,10H,3-6H2,1-2H3,(H,13,14)
InChIKeyYWFDNKVOYZFIEG-UHFFFAOYSA-N
XLogP-0.58
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-propan-2-ylpiperazine-1-carboxamide
CID 16791160
2-[methyl-(4-propan-2-ylpiperidine-1-carbonyl)amino]propanoic acid
CID 103500513
2-[(4,4-dimethylpiperidine-1-carbonyl)-methylamino]propanoic acid
CID 55155372
2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-methylamino]propanoic acid
CID 112626729
2-[(4-ethoxypiperidine-1-carbonyl)-methylamino]propanoic acid
CID 62639034
N-methoxy-N-methylpiperazine-1-carboxamide
CID 174898096
2-[(3-aminopyrrolidine-1-carbonyl)-methylamino]propanoic acid
CID 62637046
2-[methyl-(4-methyl-3-oxopiperazine-1-carbonyl)amino]propanoic acid
CID 64694737
2-(dimethylamino)-3-methyl-1-piperazin-1-ylbutan-1-one
CID 82508777
2-[ethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 43263438
2-[methyl-[methyl(piperidin-4-yl)carbamoyl]amino]propanoic acid
CID 62637201
(2R)-2-(piperazine-1-carbonylamino)propanoic acid
CID 78972178

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(piperazine-1-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[methyl(piperazine-1-carbonyl)amino]propanoic acid (CID 62639572) is 2-[methyl(piperazine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[methyl(piperazine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[methyl(piperazine-1-carbonyl)amino]propanoic acid is CC(C(=O)O)N(C)C(=O)N1CCNCC1.
What is the InChIKey of 2-[methyl(piperazine-1-carbonyl)amino]propanoic acid?
The InChIKey is YWFDNKVOYZFIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-7(8(13)14)11(2)9(15)12-5-3-10-4-6-12/h7,10H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 2-[methyl(piperazine-1-carbonyl)amino]propanoic acid?
2-[methyl(piperazine-1-carbonyl)amino]propanoic acid has a molecular weight of 215.25 g/mol, XLogP of -0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(piperazine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 62639572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).