2-[acetyl(propan-2-yl)amino]-2-(1-propan-2-ylpyrazol-4-yl)acetic acid

C13H21N3O3 — CID 114075736

IUPAC2-[acetyl(propan-2-yl)amino]-2-(1-propan-2-ylpyrazol-4-yl)acetic acid
SMILESCC(=O)N(C(C)C)C(C(=O)O)c1cnn(C(C)C)c1
InChIInChI=1S/C13H21N3O3/c1-8(2)15-7-11(6-14-15)12(13(18)19)16(9(3)4)10(5)17/h6-9,12H,1-5H3,(H,18,19)
InChIKeyNAZORRWLLPVMGZ-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.85
Rot. Bonds5

About 2-[acetyl(propan-2-yl)amino]-2-(1-propan-2-ylpyrazol-4-yl)acetic acid

2-[acetyl(propan-2-yl)amino]-2-(1-propan-2-ylpyrazol-4-yl)acetic acid (PubChem CID 114075736) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[acetyl(propan-2-yl)amino]-2-(1-propan-2-ylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-[acetyl(propan-2-yl)amino]-2-(1-propan-2-ylpyrazol-4-yl)acetic acid
PubChem CID114075736
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-[acetyl(propan-2-yl)amino]-2-(1-propan-2-ylpyrazol-4-yl)acetic acid
SMILESCC(=O)N(C(C)C)C(C(=O)O)c1cnn(C(C)C)c1
InChIInChI=1S/C13H21N3O3/c1-8(2)15-7-11(6-14-15)12(13(18)19)16(9(3)4)10(5)17/h6-9,12H,1-5H3,(H,18,19)
InChIKeyNAZORRWLLPVMGZ-UHFFFAOYSA-N
XLogP1.85
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[acetyl(cyclopropyl)amino]-2-(1-propan-2-ylpyrazol-4-yl)acetic acid
CID 114075730
2-[acetyl(propan-2-yl)amino]-2-pyridin-3-ylacetic acid
CID 55233795
2-[acetyl(propan-2-yl)amino]-2-(4-methylsulfanylphenyl)acetic acid
CID 63704292
2-[2-(dimethylamino)ethylamino]-2-(1-propan-2-ylpyrazol-4-yl)acetic acid
CID 114075692
4-amino-3-(1-propan-2-ylpyrazol-4-yl)butanoic acid
CID 83835021
1-(1-propan-2-ylpyrazol-4-yl)ethanethiol
CID 126561609
2-[acetyl(ethyl)amino]-2-(1-ethylpyrazol-4-yl)acetic acid
CID 103569944
2-[acetyl(ethyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 63702731
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(1-propan-2-ylpyrazol-4-yl)acetic acid
CID 172639251
2-amino-1-(1-propan-2-ylpyrazol-4-yl)propan-1-ol
CID 112709525
cis-(1R,2S)-N-methyl-2-[[(1R)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]amino]cyclohexane-1-carboxamide
CID 98870222
2,3-dihydroxy-3-(1-propan-2-ylpyrazol-4-yl)propanenitrile
CID 171869889

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(propan-2-yl)amino]-2-(1-propan-2-ylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-[acetyl(propan-2-yl)amino]-2-(1-propan-2-ylpyrazol-4-yl)acetic acid (CID 114075736) is 2-[acetyl(propan-2-yl)amino]-2-(1-propan-2-ylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-[acetyl(propan-2-yl)amino]-2-(1-propan-2-ylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-[acetyl(propan-2-yl)amino]-2-(1-propan-2-ylpyrazol-4-yl)acetic acid is CC(=O)N(C(C)C)C(C(=O)O)c1cnn(C(C)C)c1.
What is the InChIKey of 2-[acetyl(propan-2-yl)amino]-2-(1-propan-2-ylpyrazol-4-yl)acetic acid?
The InChIKey is NAZORRWLLPVMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-8(2)15-7-11(6-14-15)12(13(18)19)16(9(3)4)10(5)17/h6-9,12H,1-5H3,(H,18,19).
What are the key properties of 2-[acetyl(propan-2-yl)amino]-2-(1-propan-2-ylpyrazol-4-yl)acetic acid?
2-[acetyl(propan-2-yl)amino]-2-(1-propan-2-ylpyrazol-4-yl)acetic acid has a molecular weight of 267.33 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(propan-2-yl)amino]-2-(1-propan-2-ylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 114075736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).