(2S)-2-(ethylamino)-2-(1-methylpyrazol-4-yl)acetic acid

C8H13N3O2 — CID 93280089

IUPAC(2S)-2-(ethylamino)-2-(1-methylpyrazol-4-yl)acetic acid
SMILESCCN[C@H](C(=O)O)c1cnn(C)c1
InChIInChI=1S/C8H13N3O2/c1-3-9-7(8(12)13)6-4-10-11(2)5-6/h4-5,7,9H,3H2,1-2H3,(H,12,13)/t7-/m0/s1
InChIKeyZXNQWGDDXPCIFG-ZETCQYMHSA-N
MW183.21 g/mol
LogP0.16
Rot. Bonds4

About (2S)-2-(ethylamino)-2-(1-methylpyrazol-4-yl)acetic acid

(2S)-2-(ethylamino)-2-(1-methylpyrazol-4-yl)acetic acid (PubChem CID 93280089) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is (2S)-2-(ethylamino)-2-(1-methylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name(2S)-2-(ethylamino)-2-(1-methylpyrazol-4-yl)acetic acid
PubChem CID93280089
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name(2S)-2-(ethylamino)-2-(1-methylpyrazol-4-yl)acetic acid
SMILESCCN[C@H](C(=O)O)c1cnn(C)c1
InChIInChI=1S/C8H13N3O2/c1-3-9-7(8(12)13)6-4-10-11(2)5-6/h4-5,7,9H,3H2,1-2H3,(H,12,13)/t7-/m0/s1
InChIKeyZXNQWGDDXPCIFG-ZETCQYMHSA-N
XLogP0.16
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(butan-2-ylcarbamoylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 113279679
2-[[(2S)-2-aminobutanoyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 113279603
2-(2-aminopentanoylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 113279611
N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 43492401
2-[[(2R)-2-aminopropanoyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288761
2-(2,3-dimethylbutanoylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288233
2-(1-methylpyrazol-4-yl)-2-(prop-2-enoylamino)acetic acid
CID 115287988
2-(1-methylpyrazol-4-yl)-2-(methylsulfonylmethylsulfonylamino)acetic acid
CID 82840501
2-(1-methylpyrazol-4-yl)-2-[(1-methylpyrazol-4-yl)methylcarbamoylamino]acetic acid
CID 115289250
2-[(4-ethylpiperazine-1-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115289072
2-[(4-ethylpiperidine-4-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288700
2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288733

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(ethylamino)-2-(1-methylpyrazol-4-yl)acetic acid?
The IUPAC name of (2S)-2-(ethylamino)-2-(1-methylpyrazol-4-yl)acetic acid (CID 93280089) is (2S)-2-(ethylamino)-2-(1-methylpyrazol-4-yl)acetic acid.
What is the SMILES notation for (2S)-2-(ethylamino)-2-(1-methylpyrazol-4-yl)acetic acid?
The canonical SMILES for (2S)-2-(ethylamino)-2-(1-methylpyrazol-4-yl)acetic acid is CCN[C@H](C(=O)O)c1cnn(C)c1.
What is the InChIKey of (2S)-2-(ethylamino)-2-(1-methylpyrazol-4-yl)acetic acid?
The InChIKey is ZXNQWGDDXPCIFG-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-3-9-7(8(12)13)6-4-10-11(2)5-6/h4-5,7,9H,3H2,1-2H3,(H,12,13)/t7-/m0/s1.
What are the key properties of (2S)-2-(ethylamino)-2-(1-methylpyrazol-4-yl)acetic acid?
(2S)-2-(ethylamino)-2-(1-methylpyrazol-4-yl)acetic acid has a molecular weight of 183.21 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(ethylamino)-2-(1-methylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 93280089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).