1-[(1S)-2-amino-1-(1H-pyrazol-5-yl)ethyl]cyclobutane-1-carboxylic acid

C10H15N3O2 — CID 125452194

IUPAC1-[(1S)-2-amino-1-(1H-pyrazol-5-yl)ethyl]cyclobutane-1-carboxylic acid
SMILESNC[C@@H](c1ccn[nH]1)C1(C(=O)O)CCC1
InChIInChI=1S/C10H15N3O2/c11-6-7(8-2-5-12-13-8)10(9(14)15)3-1-4-10/h2,5,7H,1,3-4,6,11H2,(H,12,13)(H,14,15)/t7-/m0/s1
InChIKeyHHSRJNBDEYITOZ-ZETCQYMHSA-N
MW209.25 g/mol
LogP0.71
Rot. Bonds4

About 1-[(1S)-2-amino-1-(1H-pyrazol-5-yl)ethyl]cyclobutane-1-carboxylic acid

1-[(1S)-2-amino-1-(1H-pyrazol-5-yl)ethyl]cyclobutane-1-carboxylic acid (PubChem CID 125452194) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-[(1S)-2-amino-1-(1H-pyrazol-5-yl)ethyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1S)-2-amino-1-(1H-pyrazol-5-yl)ethyl]cyclobutane-1-carboxylic acid
PubChem CID125452194
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name1-[(1S)-2-amino-1-(1H-pyrazol-5-yl)ethyl]cyclobutane-1-carboxylic acid
SMILESNC[C@@H](c1ccn[nH]1)C1(C(=O)O)CCC1
InChIInChI=1S/C10H15N3O2/c11-6-7(8-2-5-12-13-8)10(9(14)15)3-1-4-10/h2,5,7H,1,3-4,6,11H2,(H,12,13)(H,14,15)/t7-/m0/s1
InChIKeyHHSRJNBDEYITOZ-ZETCQYMHSA-N
XLogP0.71
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-amino-1-(1H-pyrazol-5-yl)ethyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(1S)-2-amino-1-(1H-pyrazol-5-yl)ethyl]cyclobutane-1-carboxylic acid (CID 125452194) is 1-[(1S)-2-amino-1-(1H-pyrazol-5-yl)ethyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(1S)-2-amino-1-(1H-pyrazol-5-yl)ethyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(1S)-2-amino-1-(1H-pyrazol-5-yl)ethyl]cyclobutane-1-carboxylic acid is NC[C@@H](c1ccn[nH]1)C1(C(=O)O)CCC1.
What is the InChIKey of 1-[(1S)-2-amino-1-(1H-pyrazol-5-yl)ethyl]cyclobutane-1-carboxylic acid?
The InChIKey is HHSRJNBDEYITOZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H15N3O2/c11-6-7(8-2-5-12-13-8)10(9(14)15)3-1-4-10/h2,5,7H,1,3-4,6,11H2,(H,12,13)(H,14,15)/t7-/m0/s1.
What are the key properties of 1-[(1S)-2-amino-1-(1H-pyrazol-5-yl)ethyl]cyclobutane-1-carboxylic acid?
1-[(1S)-2-amino-1-(1H-pyrazol-5-yl)ethyl]cyclobutane-1-carboxylic acid has a molecular weight of 209.25 g/mol, XLogP of 0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-amino-1-(1H-pyrazol-5-yl)ethyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 125452194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).