(2R)-2-methyl-4-prop-2-enoylpiperazine-2-carboxylic acid

C9H14N2O3 — CID 175568118

IUPAC(2R)-2-methyl-4-prop-2-enoylpiperazine-2-carboxylic acid
SMILESC=CC(=O)N1CCN[C@@](C)(C(=O)O)C1
InChIInChI=1S/C9H14N2O3/c1-3-7(12)11-5-4-10-9(2,6-11)8(13)14/h3,10H,1,4-6H2,2H3,(H,13,14)/t9-/m1/s1
InChIKeyIGJQCBHCNMPWRS-SECBINFHSA-N
MW198.22 g/mol
LogP-0.55
Rot. Bonds2

About (2R)-2-methyl-4-prop-2-enoylpiperazine-2-carboxylic acid

(2R)-2-methyl-4-prop-2-enoylpiperazine-2-carboxylic acid (PubChem CID 175568118) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is (2R)-2-methyl-4-prop-2-enoylpiperazine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-methyl-4-prop-2-enoylpiperazine-2-carboxylic acid
PubChem CID175568118
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name(2R)-2-methyl-4-prop-2-enoylpiperazine-2-carboxylic acid
SMILESC=CC(=O)N1CCN[C@@](C)(C(=O)O)C1
InChIInChI=1S/C9H14N2O3/c1-3-7(12)11-5-4-10-9(2,6-11)8(13)14/h3,10H,1,4-6H2,2H3,(H,13,14)/t9-/m1/s1
InChIKeyIGJQCBHCNMPWRS-SECBINFHSA-N
XLogP-0.55
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[[(2R)-2-(prop-2-enoylamino)propanoyl]amino]propanoic acid
CID 91053745
1-Prop-2-enoylpiperazine-2-carboxylic acid
CID 65636411
2-[[2-[[2-[[2-Methyl-2-(prop-2-enoylamino)propanoyl]amino]acetyl]amino]acetyl]amino]acetic acid
CID 118000199
2-[[2-[[2-Methyl-2-(prop-2-enoylamino)propanoyl]amino]acetyl]amino]acetic acid
CID 118000415
3-Amino-2-[methyl(prop-2-enoyl)amino]propanoic acid
CID 130470138
3-[[2-Methyl-2-(prop-2-enoylamino)propanoyl]amino]propanoic acid
CID 134329095
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
1-Methyl-3-(prop-2-enoylamino)azetidine-3-carboxylic acid
CID 135175940
4-Methyl-1-prop-2-enoylpiperazine-2-carboxylic acid
CID 135183232
2-[2-(Prop-2-enoylamino)propanoylamino]propanoic acid
CID 139812828

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-4-prop-2-enoylpiperazine-2-carboxylic acid?
The IUPAC name of (2R)-2-methyl-4-prop-2-enoylpiperazine-2-carboxylic acid (CID 175568118) is (2R)-2-methyl-4-prop-2-enoylpiperazine-2-carboxylic acid.
What is the SMILES notation for (2R)-2-methyl-4-prop-2-enoylpiperazine-2-carboxylic acid?
The canonical SMILES for (2R)-2-methyl-4-prop-2-enoylpiperazine-2-carboxylic acid is C=CC(=O)N1CCN[C@@](C)(C(=O)O)C1.
What is the InChIKey of (2R)-2-methyl-4-prop-2-enoylpiperazine-2-carboxylic acid?
The InChIKey is IGJQCBHCNMPWRS-SECBINFHSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-3-7(12)11-5-4-10-9(2,6-11)8(13)14/h3,10H,1,4-6H2,2H3,(H,13,14)/t9-/m1/s1.
What are the key properties of (2R)-2-methyl-4-prop-2-enoylpiperazine-2-carboxylic acid?
(2R)-2-methyl-4-prop-2-enoylpiperazine-2-carboxylic acid has a molecular weight of 198.22 g/mol, XLogP of -0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-4-prop-2-enoylpiperazine-2-carboxylic acid is sourced from PubChem (CID 175568118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).