3-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-3-methylbutanamide

C11H19N5O2 — CID 106096606

IUPAC3-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-3-methylbutanamide
SMILESCn1cc(C(N)C(=O)NC(C)(C)CC(N)=O)cn1
InChIInChI=1S/C11H19N5O2/c1-11(2,4-8(12)17)15-10(18)9(13)7-5-14-16(3)6-7/h5-6,9H,4,13H2,1-3H3,(H2,12,17)(H,15,18)
InChIKeyMVPVOCCCRYAOEC-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.81
Rot. Bonds5

About 3-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-3-methylbutanamide

3-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-3-methylbutanamide (PubChem CID 106096606) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 3-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-3-methylbutanamide
PubChem CID106096606
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name3-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-3-methylbutanamide
SMILESCn1cc(C(N)C(=O)NC(C)(C)CC(N)=O)cn1
InChIInChI=1S/C11H19N5O2/c1-11(2,4-8(12)17)15-10(18)9(13)7-5-14-16(3)6-7/h5-6,9H,4,13H2,1-3H3,(H2,12,17)(H,15,18)
InChIKeyMVPVOCCCRYAOEC-UHFFFAOYSA-N
XLogP-0.81
TPSA116.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(3-methylpentan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 106328550
2-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 106187975
3-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-2,2,3-trimethylbutanoic acid
CID 115290836
5-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]pentanamide
CID 114162023
3-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methylbutanamide
CID 106096490
(2S)-4-amino-2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-4-oxobutanoic acid
CID 103870099
2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]acetic acid
CID 115290299
N-(2-acetamidoethyl)-2-amino-2-(1-methylpyrazol-4-yl)acetamide
CID 113279811
2-amino-N-(3-aminopropyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115290433
2-amino-N-(3,5-dimethylphenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115289627
2-amino-N-(3-ethyl-2-hydroxypentyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 106286706
2-amino-N-(2-methyl-2-phenylpropyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115290258

Frequently Asked Questions

What is the IUPAC name of 3-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-3-methylbutanamide?
The IUPAC name of 3-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-3-methylbutanamide (CID 106096606) is 3-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-3-methylbutanamide.
What is the SMILES notation for 3-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-3-methylbutanamide?
The canonical SMILES for 3-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-3-methylbutanamide is Cn1cc(C(N)C(=O)NC(C)(C)CC(N)=O)cn1.
What is the InChIKey of 3-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-3-methylbutanamide?
The InChIKey is MVPVOCCCRYAOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-11(2,4-8(12)17)15-10(18)9(13)7-5-14-16(3)6-7/h5-6,9H,4,13H2,1-3H3,(H2,12,17)(H,15,18).
What are the key properties of 3-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-3-methylbutanamide?
3-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-3-methylbutanamide has a molecular weight of 253.31 g/mol, XLogP of -0.81, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-3-methylbutanamide is sourced from PubChem (CID 106096606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).