(2S)-2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoylamino]hexanoic acid

C13H22N4O3 — CID 107464187

IUPAC(2S)-2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoylamino]hexanoic acid
SMILESCCCC[C@H](NC(=O)Nc1cn(C)nc1CC)C(=O)O
InChIInChI=1S/C13H22N4O3/c1-4-6-7-10(12(18)19)14-13(20)15-11-8-17(3)16-9(11)5-2/h8,10H,4-7H2,1-3H3,(H,18,19)(H2,14,15,20)/t10-/m0/s1
InChIKeyJLWNYDARAIZMHA-JTQLQIEISA-N
MW282.34 g/mol
LogP1.75
Rot. Bonds7

About (2S)-2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoylamino]hexanoic acid

(2S)-2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoylamino]hexanoic acid (PubChem CID 107464187) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is (2S)-2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoylamino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoylamino]hexanoic acid
PubChem CID107464187
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name(2S)-2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoylamino]hexanoic acid
SMILESCCCC[C@H](NC(=O)Nc1cn(C)nc1CC)C(=O)O
InChIInChI=1S/C13H22N4O3/c1-4-6-7-10(12(18)19)14-13(20)15-11-8-17(3)16-9(11)5-2/h8,10H,4-7H2,1-3H3,(H,18,19)(H2,14,15,20)/t10-/m0/s1
InChIKeyJLWNYDARAIZMHA-JTQLQIEISA-N
XLogP1.75
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoylamino]hexanoic 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

(2S)-2-[(1,3-dimethylpyrazol-4-yl)carbamoylamino]hexanoic acid
CID 107146663
(2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoylamino]butanedioic acid
CID 107464180
(2S)-2-[(2-ethylphenyl)carbamoylamino]hexanoic acid
CID 107145410
2-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoylamino]pentanoic acid
CID 115991208
2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]-3,3-dimethylbutanoic acid
CID 107464409
(2S)-2-(pyrimidin-5-ylcarbamoylamino)hexanoic acid
CID 107589159
(2R)-2-[(1,3-dimethylpyrazol-4-yl)carbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107829412
(2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoylamino]-4-hydroxybutanoic acid
CID 107828790
(2R)-2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-4-hydroxybutanoic acid
CID 114004974
2-[(1-methylpyrazol-4-yl)carbamoylamino]pentanoic acid
CID 61198130
2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-methylbutanamide
CID 107463141
3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbutanamide
CID 107463044

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoylamino]hexanoic acid?
The IUPAC name of (2S)-2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoylamino]hexanoic acid (CID 107464187) is (2S)-2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoylamino]hexanoic acid.
What is the SMILES notation for (2S)-2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoylamino]hexanoic acid?
The canonical SMILES for (2S)-2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoylamino]hexanoic acid is CCCC[C@H](NC(=O)Nc1cn(C)nc1CC)C(=O)O.
What is the InChIKey of (2S)-2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoylamino]hexanoic acid?
The InChIKey is JLWNYDARAIZMHA-JTQLQIEISA-N. The full InChI is InChI=1S/C13H22N4O3/c1-4-6-7-10(12(18)19)14-13(20)15-11-8-17(3)16-9(11)5-2/h8,10H,4-7H2,1-3H3,(H,18,19)(H2,14,15,20)/t10-/m0/s1.
What are the key properties of (2S)-2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoylamino]hexanoic acid?
(2S)-2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoylamino]hexanoic acid has a molecular weight of 282.34 g/mol, XLogP of 1.75, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoylamino]hexanoic acid is sourced from PubChem (CID 107464187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).