1-[(1S)-2-amino-1-(1-methylpyrazol-3-yl)ethyl]cyclobutane-1-carboxylic acid

C11H17N3O2 — CID 125451251

IUPAC1-[(1S)-2-amino-1-(1-methylpyrazol-3-yl)ethyl]cyclobutane-1-carboxylic acid
SMILESCn1ccc([C@H](CN)C2(C(=O)O)CCC2)n1
InChIInChI=1S/C11H17N3O2/c1-14-6-3-9(13-14)8(7-12)11(10(15)16)4-2-5-11/h3,6,8H,2,4-5,7,12H2,1H3,(H,15,16)/t8-/m0/s1
InChIKeyAKSDMKCRFMFGOR-QMMMGPOBSA-N
MW223.28 g/mol
LogP0.72
Rot. Bonds4

About 1-[(1S)-2-amino-1-(1-methylpyrazol-3-yl)ethyl]cyclobutane-1-carboxylic acid

1-[(1S)-2-amino-1-(1-methylpyrazol-3-yl)ethyl]cyclobutane-1-carboxylic acid (PubChem CID 125451251) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-[(1S)-2-amino-1-(1-methylpyrazol-3-yl)ethyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1S)-2-amino-1-(1-methylpyrazol-3-yl)ethyl]cyclobutane-1-carboxylic acid
PubChem CID125451251
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-[(1S)-2-amino-1-(1-methylpyrazol-3-yl)ethyl]cyclobutane-1-carboxylic acid
SMILESCn1ccc([C@H](CN)C2(C(=O)O)CCC2)n1
InChIInChI=1S/C11H17N3O2/c1-14-6-3-9(13-14)8(7-12)11(10(15)16)4-2-5-11/h3,6,8H,2,4-5,7,12H2,1H3,(H,15,16)/t8-/m0/s1
InChIKeyAKSDMKCRFMFGOR-QMMMGPOBSA-N
XLogP0.72
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-amino-1-(1-methylpyrazol-3-yl)ethyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(1S)-2-amino-1-(1-methylpyrazol-3-yl)ethyl]cyclobutane-1-carboxylic acid (CID 125451251) is 1-[(1S)-2-amino-1-(1-methylpyrazol-3-yl)ethyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(1S)-2-amino-1-(1-methylpyrazol-3-yl)ethyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(1S)-2-amino-1-(1-methylpyrazol-3-yl)ethyl]cyclobutane-1-carboxylic acid is Cn1ccc([C@H](CN)C2(C(=O)O)CCC2)n1.
What is the InChIKey of 1-[(1S)-2-amino-1-(1-methylpyrazol-3-yl)ethyl]cyclobutane-1-carboxylic acid?
The InChIKey is AKSDMKCRFMFGOR-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-14-6-3-9(13-14)8(7-12)11(10(15)16)4-2-5-11/h3,6,8H,2,4-5,7,12H2,1H3,(H,15,16)/t8-/m0/s1.
What are the key properties of 1-[(1S)-2-amino-1-(1-methylpyrazol-3-yl)ethyl]cyclobutane-1-carboxylic acid?
1-[(1S)-2-amino-1-(1-methylpyrazol-3-yl)ethyl]cyclobutane-1-carboxylic acid has a molecular weight of 223.28 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-amino-1-(1-methylpyrazol-3-yl)ethyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 125451251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).