1-methylpiperazine-2-carboxylic acid;prop-2-enamide

C9H17N3O3 — CID 175328032

IUPAC1-methylpiperazine-2-carboxylic acid;prop-2-enamide
SMILESC=CC(N)=O.CN1CCNCC1C(=O)O
InChIInChI=1S/C6H12N2O2.C3H5NO/c1-8-3-2-7-4-5(8)6(9)10;1-2-3(4)5/h5,7H,2-4H2,1H3,(H,9,10);2H,1H2,(H2,4,5)
InChIKeySDZQVYPHINLSLD-UHFFFAOYSA-N
MW215.25 g/mol
LogP-1.37
Rot. Bonds2

About 1-methylpiperazine-2-carboxylic acid;prop-2-enamide

1-methylpiperazine-2-carboxylic acid;prop-2-enamide (PubChem CID 175328032) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-methylpiperazine-2-carboxylic acid;prop-2-enamide.

Molecular Properties

Compound Name1-methylpiperazine-2-carboxylic acid;prop-2-enamide
PubChem CID175328032
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name1-methylpiperazine-2-carboxylic acid;prop-2-enamide
SMILESC=CC(N)=O.CN1CCNCC1C(=O)O
InChIInChI=1S/C6H12N2O2.C3H5NO/c1-8-3-2-7-4-5(8)6(9)10;1-2-3(4)5/h5,7H,2-4H2,1H3,(H,9,10);2H,1H2,(H2,4,5)
InChIKeySDZQVYPHINLSLD-UHFFFAOYSA-N
XLogP-1.37
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Antibiotic A 19009
CID 6439822
(2S)-2-(methylamino)-3-[methyl(prop-2-enyl)amino]propanoic acid
CID 59882216
1-Prop-2-enylpiperazine-2-carboxylic acid
CID 65629696
1-Prop-2-enoylpiperazine-2-carboxylic acid
CID 65636411
4-Prop-2-enylpiperazine-2-carboxylic acid
CID 70599934
3-Amino-2-[methyl(prop-2-enoyl)amino]propanoic acid
CID 130470138
1-Propan-2-yl-4-prop-2-enoylpiperazine-2-carboxylic acid
CID 135165427
4-Propan-2-yl-1-prop-2-enoylpiperazine-2-carboxylic acid
CID 135165441
1-Propan-2-yl-3-(prop-2-enoylamino)azetidine-3-carboxylic acid
CID 135165509
4-Methyl-1-prop-2-enoylpiperazine-2-carboxylic acid
CID 135183232
2-(Carboxymethylamino)-3-(prop-2-enoylamino)propanoic acid
CID 149613014
2-(2,5-Dioxopyrrol-1-yl)-3-(propan-2-ylamino)propanoic acid;ethane
CID 155689431

Frequently Asked Questions

What is the IUPAC name of 1-methylpiperazine-2-carboxylic acid;prop-2-enamide?
The IUPAC name of 1-methylpiperazine-2-carboxylic acid;prop-2-enamide (CID 175328032) is 1-methylpiperazine-2-carboxylic acid;prop-2-enamide.
What is the SMILES notation for 1-methylpiperazine-2-carboxylic acid;prop-2-enamide?
The canonical SMILES for 1-methylpiperazine-2-carboxylic acid;prop-2-enamide is C=CC(N)=O.CN1CCNCC1C(=O)O.
What is the InChIKey of 1-methylpiperazine-2-carboxylic acid;prop-2-enamide?
The InChIKey is SDZQVYPHINLSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2.C3H5NO/c1-8-3-2-7-4-5(8)6(9)10;1-2-3(4)5/h5,7H,2-4H2,1H3,(H,9,10);2H,1H2,(H2,4,5).
What are the key properties of 1-methylpiperazine-2-carboxylic acid;prop-2-enamide?
1-methylpiperazine-2-carboxylic acid;prop-2-enamide has a molecular weight of 215.25 g/mol, XLogP of -1.37, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperazine-2-carboxylic acid;prop-2-enamide is sourced from PubChem (CID 175328032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).