2-amino-2-[5-(cyclohexylmethyl)-1-hydroxypyrazol-4-yl]acetic acid

C12H19N3O3 — CID 16739377

IUPAC2-amino-2-[5-(cyclohexylmethyl)-1-hydroxypyrazol-4-yl]acetic acid
SMILESNC(C(=O)O)c1cnn(O)c1CC1CCCCC1
InChIInChI=1S/C12H19N3O3/c13-11(12(16)17)9-7-14-15(18)10(9)6-8-4-2-1-3-5-8/h7-8,11,18H,1-6,13H2,(H,16,17)
InChIKeyCARPBCWTCPQWEH-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.33
Rot. Bonds4

About 2-amino-2-[5-(cyclohexylmethyl)-1-hydroxypyrazol-4-yl]acetic acid

2-amino-2-[5-(cyclohexylmethyl)-1-hydroxypyrazol-4-yl]acetic acid (PubChem CID 16739377) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-amino-2-[5-(cyclohexylmethyl)-1-hydroxypyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[5-(cyclohexylmethyl)-1-hydroxypyrazol-4-yl]acetic acid
PubChem CID16739377
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-amino-2-[5-(cyclohexylmethyl)-1-hydroxypyrazol-4-yl]acetic acid
SMILESNC(C(=O)O)c1cnn(O)c1CC1CCCCC1
InChIInChI=1S/C12H19N3O3/c13-11(12(16)17)9-7-14-15(18)10(9)6-8-4-2-1-3-5-8/h7-8,11,18H,1-6,13H2,(H,16,17)
InChIKeyCARPBCWTCPQWEH-UHFFFAOYSA-N
XLogP1.33
TPSA101.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[5-(cyclohexylmethyl)-1-hydroxypyrazol-4-yl]acetic acid?
The IUPAC name of 2-amino-2-[5-(cyclohexylmethyl)-1-hydroxypyrazol-4-yl]acetic acid (CID 16739377) is 2-amino-2-[5-(cyclohexylmethyl)-1-hydroxypyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[5-(cyclohexylmethyl)-1-hydroxypyrazol-4-yl]acetic acid?
The canonical SMILES for 2-amino-2-[5-(cyclohexylmethyl)-1-hydroxypyrazol-4-yl]acetic acid is NC(C(=O)O)c1cnn(O)c1CC1CCCCC1.
What is the InChIKey of 2-amino-2-[5-(cyclohexylmethyl)-1-hydroxypyrazol-4-yl]acetic acid?
The InChIKey is CARPBCWTCPQWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c13-11(12(16)17)9-7-14-15(18)10(9)6-8-4-2-1-3-5-8/h7-8,11,18H,1-6,13H2,(H,16,17).
What are the key properties of 2-amino-2-[5-(cyclohexylmethyl)-1-hydroxypyrazol-4-yl]acetic acid?
2-amino-2-[5-(cyclohexylmethyl)-1-hydroxypyrazol-4-yl]acetic acid has a molecular weight of 253.30 g/mol, XLogP of 1.33, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[5-(cyclohexylmethyl)-1-hydroxypyrazol-4-yl]acetic acid is sourced from PubChem (CID 16739377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).