2-[acetyl(ethyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid

C10H15N3O3 — CID 63702731

IUPAC2-[acetyl(ethyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
SMILESCCN(C(C)=O)C(C(=O)O)c1cnn(C)c1
InChIInChI=1S/C10H15N3O3/c1-4-13(7(2)14)9(10(15)16)8-5-11-12(3)6-8/h5-6,9H,4H2,1-3H3,(H,15,16)
InChIKeyLSZSBACXDJXZMT-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.41
Rot. Bonds4

About 2-[acetyl(ethyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid

2-[acetyl(ethyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid (PubChem CID 63702731) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-[acetyl(ethyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-[acetyl(ethyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
PubChem CID63702731
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-[acetyl(ethyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
SMILESCCN(C(C)=O)C(C(=O)O)c1cnn(C)c1
InChIInChI=1S/C10H15N3O3/c1-4-13(7(2)14)9(10(15)16)8-5-11-12(3)6-8/h5-6,9H,4H2,1-3H3,(H,15,16)
InChIKeyLSZSBACXDJXZMT-UHFFFAOYSA-N
XLogP0.41
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 ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[acetyl(ethyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[acetyl(ethyl)amino]-2-(1-ethylpyrazol-4-yl)acetic acid
CID 103569944
2-(1-methylpyrazol-4-yl)pentanoic acid
CID 83042529
(2S)-2-(ethylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 93280089
2-[ethyl-[1-(1-methylpyrazol-4-yl)ethyl]amino]acetic acid
CID 65063078
2-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115289055
2-[acetyl(ethyl)amino]-2-[1-(3-hydroxypropyl)triazol-4-yl]acetic acid
CID 66269528
(3R)-3-amino-3-(1-methylpyrazol-4-yl)propanoic acid
CID 28600208
ethyl 3-(dimethylamino)-3-(1-methylpyrazol-4-yl)propanoate
CID 64541804
2-amino-N-[1-(diethylamino)propan-2-yl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115290558
2-amino-N-cyclopropyl-N-ethyl-2-(1-methylpyrazol-4-yl)acetamide
CID 115289735
ethyl (2S)-2-amino-2-(1-methylpyrazol-4-yl)acetate
CID 93311142
(2R)-2-(3-ethylphenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetic acid
CID 97204167

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(ethyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-[acetyl(ethyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid (CID 63702731) is 2-[acetyl(ethyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-[acetyl(ethyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-[acetyl(ethyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid is CCN(C(C)=O)C(C(=O)O)c1cnn(C)c1.
What is the InChIKey of 2-[acetyl(ethyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid?
The InChIKey is LSZSBACXDJXZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-4-13(7(2)14)9(10(15)16)8-5-11-12(3)6-8/h5-6,9H,4H2,1-3H3,(H,15,16).
What are the key properties of 2-[acetyl(ethyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid?
2-[acetyl(ethyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid has a molecular weight of 225.25 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(ethyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 63702731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).