(2S)-2-amino-3-(1-cyclohexylpyrazol-3-yl)propanoic acid

C12H19N3O2 — CID 106702721

IUPAC(2S)-2-amino-3-(1-cyclohexylpyrazol-3-yl)propanoic acid
SMILESN[C@@H](Cc1ccn(C2CCCCC2)n1)C(=O)O
InChIInChI=1S/C12H19N3O2/c13-11(12(16)17)8-9-6-7-15(14-9)10-4-2-1-3-5-10/h6-7,10-11H,1-5,8,13H2,(H,16,17)/t11-/m0/s1
InChIKeyXMDSCYCZKNDZFV-NSHDSACASA-N
MW237.30 g/mol
LogP1.34
Rot. Bonds4

About (2S)-2-amino-3-(1-cyclohexylpyrazol-3-yl)propanoic acid

(2S)-2-amino-3-(1-cyclohexylpyrazol-3-yl)propanoic acid (PubChem CID 106702721) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is (2S)-2-amino-3-(1-cyclohexylpyrazol-3-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(1-cyclohexylpyrazol-3-yl)propanoic acid
PubChem CID106702721
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name(2S)-2-amino-3-(1-cyclohexylpyrazol-3-yl)propanoic acid
SMILESN[C@@H](Cc1ccn(C2CCCCC2)n1)C(=O)O
InChIInChI=1S/C12H19N3O2/c13-11(12(16)17)8-9-6-7-15(14-9)10-4-2-1-3-5-10/h6-7,10-11H,1-5,8,13H2,(H,16,17)/t11-/m0/s1
InChIKeyXMDSCYCZKNDZFV-NSHDSACASA-N
XLogP1.34
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-cyclohexylpyrazol-3-yl)-3-methylbutan-2-one
CID 64784583
1-cycloheptyl-2-(1-cyclohexylpyrazol-3-yl)ethanamine
CID 65399634
2-amino-3-(1-cyclohexyltriazol-4-yl)propanoic acid
CID 116735154
2-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylpentanoic acid
CID 64785587
dimethyl 2-[(1-cyclopentylpyrazol-3-yl)methyl]propanedioate
CID 103972375
1-(1-cyclohexylpyrazol-3-yl)-3-methoxypropan-2-amine
CID 64779791
3-[(1-cyclopentylpyrazol-3-yl)methyl]pentan-2-one
CID 64784585
3-(1-cyclopentylpyrazol-3-yl)-2-fluoropropan-1-amine
CID 112562613
2-(1-cyclopentylpyrazol-3-yl)-1-phenylethanamine
CID 64784526
1-(1-cyclopentylpyrazol-3-yl)butan-2-amine
CID 64785877
1-(1-cyclopentylpyrazol-3-yl)-4,4,4-trifluorobutan-2-amine
CID 64777428
2-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylbutan-1-amine
CID 64778280

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(1-cyclohexylpyrazol-3-yl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(1-cyclohexylpyrazol-3-yl)propanoic acid (CID 106702721) is (2S)-2-amino-3-(1-cyclohexylpyrazol-3-yl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(1-cyclohexylpyrazol-3-yl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(1-cyclohexylpyrazol-3-yl)propanoic acid is N[C@@H](Cc1ccn(C2CCCCC2)n1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(1-cyclohexylpyrazol-3-yl)propanoic acid?
The InChIKey is XMDSCYCZKNDZFV-NSHDSACASA-N. The full InChI is InChI=1S/C12H19N3O2/c13-11(12(16)17)8-9-6-7-15(14-9)10-4-2-1-3-5-10/h6-7,10-11H,1-5,8,13H2,(H,16,17)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-3-(1-cyclohexylpyrazol-3-yl)propanoic acid?
(2S)-2-amino-3-(1-cyclohexylpyrazol-3-yl)propanoic acid has a molecular weight of 237.30 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(1-cyclohexylpyrazol-3-yl)propanoic acid is sourced from PubChem (CID 106702721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).