2-[(2-amino-2-oxoethyl)-[(1-cyclohexylpyrazol-3-yl)methyl]amino]acetic acid

C14H22N4O3 — CID 107440267

IUPAC2-[(2-amino-2-oxoethyl)-[(1-cyclohexylpyrazol-3-yl)methyl]amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C14H22N4O3/c15-13(19)9-17(10-14(20)21)8-11-6-7-18(16-11)12-4-2-1-3-5-12/h6-7,12H,1-5,8-10H2,(H2,15,19)(H,20,21)
InChIKeyDQNNGLUNLNJPFL-UHFFFAOYSA-N
MW294.36 g/mol
LogP0.76
Rot. Bonds7

About 2-[(2-amino-2-oxoethyl)-[(1-cyclohexylpyrazol-3-yl)methyl]amino]acetic acid

2-[(2-amino-2-oxoethyl)-[(1-cyclohexylpyrazol-3-yl)methyl]amino]acetic acid (PubChem CID 107440267) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[(1-cyclohexylpyrazol-3-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[(1-cyclohexylpyrazol-3-yl)methyl]amino]acetic acid
PubChem CID107440267
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name2-[(2-amino-2-oxoethyl)-[(1-cyclohexylpyrazol-3-yl)methyl]amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C14H22N4O3/c15-13(19)9-17(10-14(20)21)8-11-6-7-18(16-11)12-4-2-1-3-5-12/h6-7,12H,1-5,8-10H2,(H2,15,19)(H,20,21)
InChIKeyDQNNGLUNLNJPFL-UHFFFAOYSA-N
XLogP0.76
TPSA101.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2-amino-2-oxoethyl)-[(1-cyclohexylpyrazol-3-yl)methyl]amino]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-[(1-cyclohexylpyrazol-3-yl)methyl-cyclopropylamino]acetic acid
CID 64784800
2-[(1-cyclohexylpyrazol-3-yl)methyl-(2-methoxyethyl)amino]acetic acid
CID 64783644
3-[(1-cyclopentylpyrazol-3-yl)methyl-methylamino]propanoic acid
CID 64785385
(2S)-2-amino-3-(1-cyclohexylpyrazol-3-yl)propanoic acid
CID 106702721
N'-[(1-cyclohexylpyrazol-3-yl)methyl]-N'-ethylpropane-1,3-diamine
CID 64800217
1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropane-1-carboxylic acid
CID 66026844
2-(aminomethyl)-3-(1-cyclohexylpyrazol-3-yl)-2-methylpropanoic acid
CID 106487284
4-[(1-cyclopentylpyrazol-3-yl)methyl-methylamino]butan-2-ol
CID 113259203
4-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64783426
1-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64784110
2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazin-1-yl]acetic acid
CID 64785188
3-[(1-cyclopentylpyrazol-3-yl)methylsulfonyl]propanoic acid
CID 64801507

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[(1-cyclohexylpyrazol-3-yl)methyl]amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[(1-cyclohexylpyrazol-3-yl)methyl]amino]acetic acid (CID 107440267) is 2-[(2-amino-2-oxoethyl)-[(1-cyclohexylpyrazol-3-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[(1-cyclohexylpyrazol-3-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[(1-cyclohexylpyrazol-3-yl)methyl]amino]acetic acid is NC(=O)CN(CC(=O)O)Cc1ccn(C2CCCCC2)n1.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[(1-cyclohexylpyrazol-3-yl)methyl]amino]acetic acid?
The InChIKey is DQNNGLUNLNJPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c15-13(19)9-17(10-14(20)21)8-11-6-7-18(16-11)12-4-2-1-3-5-12/h6-7,12H,1-5,8-10H2,(H2,15,19)(H,20,21).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[(1-cyclohexylpyrazol-3-yl)methyl]amino]acetic acid?
2-[(2-amino-2-oxoethyl)-[(1-cyclohexylpyrazol-3-yl)methyl]amino]acetic acid has a molecular weight of 294.36 g/mol, XLogP of 0.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-[(1-cyclohexylpyrazol-3-yl)methyl]amino]acetic acid is sourced from PubChem (CID 107440267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).