2-[methyl-[2-(1-methylpyrazol-4-yl)acetyl]amino]propanoic acid

C10H15N3O3 — CID 119358246

IUPAC2-[methyl-[2-(1-methylpyrazol-4-yl)acetyl]amino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)Cc1cnn(C)c1
InChIInChI=1S/C10H15N3O3/c1-7(10(15)16)13(3)9(14)4-8-5-11-12(2)6-8/h5-7H,4H2,1-3H3,(H,15,16)
InChIKeyAMFXDKPVGKVCRA-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.11
Rot. Bonds4

About 2-[methyl-[2-(1-methylpyrazol-4-yl)acetyl]amino]propanoic acid

2-[methyl-[2-(1-methylpyrazol-4-yl)acetyl]amino]propanoic acid (PubChem CID 119358246) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-[methyl-[2-(1-methylpyrazol-4-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-[2-(1-methylpyrazol-4-yl)acetyl]amino]propanoic acid
PubChem CID119358246
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-[methyl-[2-(1-methylpyrazol-4-yl)acetyl]amino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)Cc1cnn(C)c1
InChIInChI=1S/C10H15N3O3/c1-7(10(15)16)13(3)9(14)4-8-5-11-12(2)6-8/h5-7H,4H2,1-3H3,(H,15,16)
InChIKeyAMFXDKPVGKVCRA-UHFFFAOYSA-N
XLogP-0.11
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-di(butan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 86795405
3-methyl-2-[(1-methylpyrazol-4-yl)methyl]butanoic acid
CID 62126220
2-(1-methylpyrazol-4-yl)-N-propan-2-ylacetamide
CID 130716283
4-amino-1-(1-methylpyrazol-4-yl)pentan-2-one
CID 116555966
4-amino-3-methyl-1-(1-methylpyrazol-4-yl)pentan-2-one
CID 116612324
3-methyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]butanoic acid
CID 103004675
4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-one
CID 62126204
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-phenylpropan-1-one
CID 60681815
3-methyl-5-(1-methylpyrazol-4-yl)pentan-2-one
CID 103004218
2-amino-3-(1-methylpyrazol-4-yl)propanoic acid;hydrochloride
CID 156589324
N,N-dimethyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]propanamide
CID 80688817
2-amino-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide;dihydrochloride
CID 119834029

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(1-methylpyrazol-4-yl)acetyl]amino]propanoic acid?
The IUPAC name of 2-[methyl-[2-(1-methylpyrazol-4-yl)acetyl]amino]propanoic acid (CID 119358246) is 2-[methyl-[2-(1-methylpyrazol-4-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-[methyl-[2-(1-methylpyrazol-4-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-[methyl-[2-(1-methylpyrazol-4-yl)acetyl]amino]propanoic acid is CC(C(=O)O)N(C)C(=O)Cc1cnn(C)c1.
What is the InChIKey of 2-[methyl-[2-(1-methylpyrazol-4-yl)acetyl]amino]propanoic acid?
The InChIKey is AMFXDKPVGKVCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-7(10(15)16)13(3)9(14)4-8-5-11-12(2)6-8/h5-7H,4H2,1-3H3,(H,15,16).
What are the key properties of 2-[methyl-[2-(1-methylpyrazol-4-yl)acetyl]amino]propanoic acid?
2-[methyl-[2-(1-methylpyrazol-4-yl)acetyl]amino]propanoic acid has a molecular weight of 225.25 g/mol, XLogP of -0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(1-methylpyrazol-4-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 119358246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).