cis-(1S,2R)-2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid

C12H18N2O5 — CID 93378488

IUPACcis-(1S,2R)-2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
SMILESCOCC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)O)CC1
InChIInChI=1S/C12H18N2O5/c1-19-7-10(15)13-2-4-14(5-3-13)11(16)8-6-9(8)12(17)18/h8-9H,2-7H2,1H3,(H,17,18)/t8-,9+/m1/s1
InChIKeyXDZNVQBHXYTUMI-BDAKNGLRSA-N
MW270.28 g/mol
LogP-0.98
Rot. Bonds4

About cis-(1S,2R)-2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid

cis-(1S,2R)-2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid (PubChem CID 93378488) has the molecular formula C12H18N2O5 and a molecular weight of 270.28 g/mol. Its IUPAC name is cis-(1S,2R)-2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
PubChem CID93378488
Molecular FormulaC12H18N2O5
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Namecis-(1S,2R)-2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
SMILESCOCC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)O)CC1
InChIInChI=1S/C12H18N2O5/c1-19-7-10(15)13-2-4-14(5-3-13)11(16)8-6-9(8)12(17)18/h8-9H,2-7H2,1H3,(H,17,18)/t8-,9+/m1/s1
InChIKeyXDZNVQBHXYTUMI-BDAKNGLRSA-N
XLogP-0.98
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 5-0.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(methoxymethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 63971917
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-methoxyethanone
CID 60637500
2-(4-ethoxycarbonylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 54918475
cis-(1S,2R)-2-[4-(2-methoxy-2-oxoethyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 93379447
5-[4-(2-methoxyacetyl)piperazine-1-carbonyl]oxolane-2-carboxylic acid
CID 102688160
cis-(1R,2S)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 93311514
2-(4-propylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 60792822
2-(azocane-1-carbonyl)cyclopropane-1-carboxylic acid
CID 60792176
trans-(1R,2R)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 93311543
2-[4-(ethylcarbamoyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 60953640
2-[4-(2-methylpropyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 60950003
4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 78983107

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid (CID 93378488) is cis-(1S,2R)-2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid is COCC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)O)CC1.
What is the InChIKey of cis-(1S,2R)-2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid?
The InChIKey is XDZNVQBHXYTUMI-BDAKNGLRSA-N. The full InChI is InChI=1S/C12H18N2O5/c1-19-7-10(15)13-2-4-14(5-3-13)11(16)8-6-9(8)12(17)18/h8-9H,2-7H2,1H3,(H,17,18)/t8-,9+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid?
cis-(1S,2R)-2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid has a molecular weight of 270.28 g/mol, XLogP of -0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[4-(2-methoxyacetyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 93378488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).