methyl (3R)-3-cyclopropyl-3-(1H-pyrazole-5-carbonylamino)propanoate

C11H15N3O3 — CID 97062521

IUPACmethyl (3R)-3-cyclopropyl-3-(1H-pyrazole-5-carbonylamino)propanoate
SMILESCOC(=O)C[C@@H](NC(=O)c1ccn[nH]1)C1CC1
InChIInChI=1S/C11H15N3O3/c1-17-10(15)6-9(7-2-3-7)13-11(16)8-4-5-12-14-8/h4-5,7,9H,2-3,6H2,1H3,(H,12,14)(H,13,16)/t9-/m1/s1
InChIKeyWRCVLBNPVQZFPF-SECBINFHSA-N
MW237.26 g/mol
LogP0.48
Rot. Bonds5

About methyl (3R)-3-cyclopropyl-3-(1H-pyrazole-5-carbonylamino)propanoate

methyl (3R)-3-cyclopropyl-3-(1H-pyrazole-5-carbonylamino)propanoate (PubChem CID 97062521) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is methyl (3R)-3-cyclopropyl-3-(1H-pyrazole-5-carbonylamino)propanoate.

Molecular Properties

Compound Namemethyl (3R)-3-cyclopropyl-3-(1H-pyrazole-5-carbonylamino)propanoate
PubChem CID97062521
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Namemethyl (3R)-3-cyclopropyl-3-(1H-pyrazole-5-carbonylamino)propanoate
SMILESCOC(=O)C[C@@H](NC(=O)c1ccn[nH]1)C1CC1
InChIInChI=1S/C11H15N3O3/c1-17-10(15)6-9(7-2-3-7)13-11(16)8-4-5-12-14-8/h4-5,7,9H,2-3,6H2,1H3,(H,12,14)(H,13,16)/t9-/m1/s1
InChIKeyWRCVLBNPVQZFPF-SECBINFHSA-N
XLogP0.48
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-cyclopropyl-3-(1H-pyrazole-5-carbonylamino)propanoate?
The IUPAC name of methyl (3R)-3-cyclopropyl-3-(1H-pyrazole-5-carbonylamino)propanoate (CID 97062521) is methyl (3R)-3-cyclopropyl-3-(1H-pyrazole-5-carbonylamino)propanoate.
What is the SMILES notation for methyl (3R)-3-cyclopropyl-3-(1H-pyrazole-5-carbonylamino)propanoate?
The canonical SMILES for methyl (3R)-3-cyclopropyl-3-(1H-pyrazole-5-carbonylamino)propanoate is COC(=O)C[C@@H](NC(=O)c1ccn[nH]1)C1CC1.
What is the InChIKey of methyl (3R)-3-cyclopropyl-3-(1H-pyrazole-5-carbonylamino)propanoate?
The InChIKey is WRCVLBNPVQZFPF-SECBINFHSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-17-10(15)6-9(7-2-3-7)13-11(16)8-4-5-12-14-8/h4-5,7,9H,2-3,6H2,1H3,(H,12,14)(H,13,16)/t9-/m1/s1.
What are the key properties of methyl (3R)-3-cyclopropyl-3-(1H-pyrazole-5-carbonylamino)propanoate?
methyl (3R)-3-cyclopropyl-3-(1H-pyrazole-5-carbonylamino)propanoate has a molecular weight of 237.26 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-cyclopropyl-3-(1H-pyrazole-5-carbonylamino)propanoate is sourced from PubChem (CID 97062521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).