(2S)-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]butanamide

C11H20N4O — CID 95299786

IUPAC(2S)-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]butanamide
SMILESCC[C@H](N[C@@H](C)Cn1cc(C)cn1)C(N)=O
InChIInChI=1S/C11H20N4O/c1-4-10(11(12)16)14-9(3)7-15-6-8(2)5-13-15/h5-6,9-10,14H,4,7H2,1-3H3,(H2,12,16)/t9-,10-/m0/s1
InChIKeyWESYTCLJVLGZEF-UWVGGRQHSA-N
MW224.31 g/mol
LogP0.43
Rot. Bonds6

About (2S)-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]butanamide

(2S)-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]butanamide (PubChem CID 95299786) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is (2S)-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]butanamide.

Molecular Properties

Compound Name(2S)-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]butanamide
PubChem CID95299786
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name(2S)-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]butanamide
SMILESCC[C@H](N[C@@H](C)Cn1cc(C)cn1)C(N)=O
InChIInChI=1S/C11H20N4O/c1-4-10(11(12)16)14-9(3)7-15-6-8(2)5-13-15/h5-6,9-10,14H,4,7H2,1-3H3,(H2,12,16)/t9-,10-/m0/s1
InChIKeyWESYTCLJVLGZEF-UWVGGRQHSA-N
XLogP0.43
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]butanamide?
The IUPAC name of (2S)-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]butanamide (CID 95299786) is (2S)-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]butanamide.
What is the SMILES notation for (2S)-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]butanamide?
The canonical SMILES for (2S)-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]butanamide is CC[C@H](N[C@@H](C)Cn1cc(C)cn1)C(N)=O.
What is the InChIKey of (2S)-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]butanamide?
The InChIKey is WESYTCLJVLGZEF-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H20N4O/c1-4-10(11(12)16)14-9(3)7-15-6-8(2)5-13-15/h5-6,9-10,14H,4,7H2,1-3H3,(H2,12,16)/t9-,10-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]butanamide?
(2S)-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]butanamide has a molecular weight of 224.31 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]butanamide is sourced from PubChem (CID 95299786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).