2-[2-(dimethylamino)ethyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]acetic acid

C14H24N4O3 — CID 103802828

IUPAC2-[2-(dimethylamino)ethyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]acetic acid
SMILESCc1nn(C)c(C)c1CC(=O)N(CCN(C)C)CC(=O)O
InChIInChI=1S/C14H24N4O3/c1-10-12(11(2)17(5)15-10)8-13(19)18(9-14(20)21)7-6-16(3)4/h6-9H2,1-5H3,(H,20,21)
InChIKeyMKVMKSNLLIKCAT-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.05
Rot. Bonds7

About 2-[2-(dimethylamino)ethyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]acetic acid

2-[2-(dimethylamino)ethyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]acetic acid (PubChem CID 103802828) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]acetic acid
PubChem CID103802828
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name2-[2-(dimethylamino)ethyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]acetic acid
SMILESCc1nn(C)c(C)c1CC(=O)N(CCN(C)C)CC(=O)O
InChIInChI=1S/C14H24N4O3/c1-10-12(11(2)17(5)15-10)8-13(19)18(9-14(20)21)7-6-16(3)4/h6-9H2,1-5H3,(H,20,21)
InChIKeyMKVMKSNLLIKCAT-UHFFFAOYSA-N
XLogP0.05
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[prop-2-enyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]acetic acid
CID 79263566
2-[tert-butyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]acetic acid
CID 79266236
3-[propan-2-yl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid
CID 60831751
N-butan-2-yl-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 134006182
2-[2-methylpropyl-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]acetic acid
CID 62032074
2-[1-[2-(dimethylamino)ethyl]-3,5-dimethylpyrazol-4-yl]acetic acid
CID 61294445
2-[[2-(2,6-dichlorophenyl)acetyl]-[2-(dimethylamino)ethyl]amino]acetic acid
CID 103802737
2-[prop-2-enyl-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]acetic acid
CID 79256977
N-(2-hydroxyethyl)-N-propan-2-yl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 43573797
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 30212742
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 43050657
2-[[2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]-(2-methoxyethyl)amino]acetic acid
CID 119189003

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]acetic acid (CID 103802828) is 2-[2-(dimethylamino)ethyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]acetic acid is Cc1nn(C)c(C)c1CC(=O)N(CCN(C)C)CC(=O)O.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]acetic acid?
The InChIKey is MKVMKSNLLIKCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-10-12(11(2)17(5)15-10)8-13(19)18(9-14(20)21)7-6-16(3)4/h6-9H2,1-5H3,(H,20,21).
What are the key properties of 2-[2-(dimethylamino)ethyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]acetic acid?
2-[2-(dimethylamino)ethyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]acetic acid has a molecular weight of 296.37 g/mol, XLogP of 0.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 103802828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).