(2S)-2-amino-3-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylmethylamino)ethyl]butanamide

C11H19N5O2 — CID 82962080

IUPAC(2S)-2-amino-3-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylmethylamino)ethyl]butanamide
SMILESCC(C)[C@H](N)C(=O)NCC(=O)NCc1cn[nH]c1
InChIInChI=1S/C11H19N5O2/c1-7(2)10(12)11(18)14-6-9(17)13-3-8-4-15-16-5-8/h4-5,7,10H,3,6,12H2,1-2H3,(H,13,17)(H,14,18)(H,15,16)/t10-/m0/s1
InChIKeyGFWOWAUSNGOCQV-JTQLQIEISA-N
MW253.31 g/mol
LogP-0.87
Rot. Bonds6

About (2S)-2-amino-3-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylmethylamino)ethyl]butanamide

(2S)-2-amino-3-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylmethylamino)ethyl]butanamide (PubChem CID 82962080) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylmethylamino)ethyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylmethylamino)ethyl]butanamide
PubChem CID82962080
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name(2S)-2-amino-3-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylmethylamino)ethyl]butanamide
SMILESCC(C)[C@H](N)C(=O)NCC(=O)NCc1cn[nH]c1
InChIInChI=1S/C11H19N5O2/c1-7(2)10(12)11(18)14-6-9(17)13-3-8-4-15-16-5-8/h4-5,7,10H,3,6,12H2,1-2H3,(H,13,17)(H,14,18)(H,15,16)/t10-/m0/s1
InChIKeyGFWOWAUSNGOCQV-JTQLQIEISA-N
XLogP-0.87
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-3-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 79012897
(2S)-2-amino-3-methyl-N-[2-oxo-2-[1-(1H-pyrazol-4-yl)ethylamino]ethyl]butanamide
CID 106212905
2-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 60735981
2-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 60735814
(2S)-2-amino-N-[2-[(4-cyanophenyl)methylamino]-2-oxoethyl]-3-methylbutanamide
CID 82963489
2-methylpropyl N-(1H-pyrazol-4-ylmethyl)carbamate
CID 61004410
2,2-difluoro-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 103514032
4-amino-4-phenyl-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 55205488
(2S)-2-amino-N-[2-[(4-ethyl-1H-pyrazol-5-yl)amino]-2-oxoethyl]-3-methylbutanamide
CID 104619280
2-amino-3-methyl-N-(1H-pyrazol-4-yl)butanamide
CID 43540260
3-methyl-2-(1H-pyrazol-4-ylmethylcarbamoylamino)butanoic acid
CID 54982274
2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]acetic acid
CID 7004847

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylmethylamino)ethyl]butanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylmethylamino)ethyl]butanamide (CID 82962080) is (2S)-2-amino-3-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylmethylamino)ethyl]butanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylmethylamino)ethyl]butanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylmethylamino)ethyl]butanamide is CC(C)[C@H](N)C(=O)NCC(=O)NCc1cn[nH]c1.
What is the InChIKey of (2S)-2-amino-3-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylmethylamino)ethyl]butanamide?
The InChIKey is GFWOWAUSNGOCQV-JTQLQIEISA-N. The full InChI is InChI=1S/C11H19N5O2/c1-7(2)10(12)11(18)14-6-9(17)13-3-8-4-15-16-5-8/h4-5,7,10H,3,6,12H2,1-2H3,(H,13,17)(H,14,18)(H,15,16)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylmethylamino)ethyl]butanamide?
(2S)-2-amino-3-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylmethylamino)ethyl]butanamide has a molecular weight of 253.31 g/mol, XLogP of -0.87, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylmethylamino)ethyl]butanamide is sourced from PubChem (CID 82962080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).