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

C10H17N3O2 — CID 65063078

IUPAC2-[ethyl-[1-(1-methylpyrazol-4-yl)ethyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(C)c1cnn(C)c1
InChIInChI=1S/C10H17N3O2/c1-4-13(7-10(14)15)8(2)9-5-11-12(3)6-9/h5-6,8H,4,7H2,1-3H3,(H,14,15)
InChIKeyPLTGAYVYPYJYPN-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.89
Rot. Bonds5

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

2-[ethyl-[1-(1-methylpyrazol-4-yl)ethyl]amino]acetic acid (PubChem CID 65063078) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-[ethyl-[1-(1-methylpyrazol-4-yl)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[1-(1-methylpyrazol-4-yl)ethyl]amino]acetic acid
PubChem CID65063078
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-[ethyl-[1-(1-methylpyrazol-4-yl)ethyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(C)c1cnn(C)c1
InChIInChI=1S/C10H17N3O2/c1-4-13(7-10(14)15)8(2)9-5-11-12(3)6-9/h5-6,8H,4,7H2,1-3H3,(H,14,15)
InChIKeyPLTGAYVYPYJYPN-UHFFFAOYSA-N
XLogP0.89
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(1-ethylpyrazol-4-yl)ethyl-methylamino]acetic acid
CID 65056387
N-ethyl-1-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603461
2-[acetyl(ethyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 63702731
(3R)-3-amino-3-(1-methylpyrazol-4-yl)propanoic acid
CID 28600208
4-[N-[1-(1-methylpyrazol-4-yl)ethyl]anilino]butanoic acid
CID 65057076
2-[ethyl(1-thiophen-3-ylethyl)amino]acetic acid
CID 65062970
2-methyl-1-(1-methylpyrazol-4-yl)butan-1-ol
CID 61088216
2-[carboxymethyl-[1-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid
CID 106758956
2-(1-methylpyrazol-4-yl)pentanoic acid
CID 83042529
2-[methyl-(1-methylpyrazol-4-yl)amino]acetic acid
CID 82538136
2-amino-2-(1-methylpyrazol-4-yl)-N-propan-2-yl-N-propylacetamide
CID 113279791
(2S)-2-(ethylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 93280089

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[1-(1-methylpyrazol-4-yl)ethyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[1-(1-methylpyrazol-4-yl)ethyl]amino]acetic acid (CID 65063078) is 2-[ethyl-[1-(1-methylpyrazol-4-yl)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[1-(1-methylpyrazol-4-yl)ethyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[1-(1-methylpyrazol-4-yl)ethyl]amino]acetic acid is CCN(CC(=O)O)C(C)c1cnn(C)c1.
What is the InChIKey of 2-[ethyl-[1-(1-methylpyrazol-4-yl)ethyl]amino]acetic acid?
The InChIKey is PLTGAYVYPYJYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-4-13(7-10(14)15)8(2)9-5-11-12(3)6-9/h5-6,8H,4,7H2,1-3H3,(H,14,15).
What are the key properties of 2-[ethyl-[1-(1-methylpyrazol-4-yl)ethyl]amino]acetic acid?
2-[ethyl-[1-(1-methylpyrazol-4-yl)ethyl]amino]acetic acid has a molecular weight of 211.26 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[1-(1-methylpyrazol-4-yl)ethyl]amino]acetic acid is sourced from PubChem (CID 65063078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).