2-cyclohexyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]acetic acid

C14H22N4O3 — CID 63303976

IUPAC2-cyclohexyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]acetic acid
SMILESCn1nccc1CNC(=O)NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C14H22N4O3/c1-18-11(7-8-16-18)9-15-14(21)17-12(13(19)20)10-5-3-2-4-6-10/h7-8,10,12H,2-6,9H2,1H3,(H,19,20)(H2,15,17,21)
InChIKeyBXYYPGJIMNNARO-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.25
Rot. Bonds5

About 2-cyclohexyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]acetic acid

2-cyclohexyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]acetic acid (PubChem CID 63303976) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-cyclohexyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]acetic acid
PubChem CID63303976
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name2-cyclohexyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]acetic acid
SMILESCn1nccc1CNC(=O)NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C14H22N4O3/c1-18-11(7-8-16-18)9-15-14(21)17-12(13(19)20)10-5-3-2-4-6-10/h7-8,10,12H,2-6,9H2,1H3,(H,19,20)(H2,15,17,21)
InChIKeyBXYYPGJIMNNARO-UHFFFAOYSA-N
XLogP1.25
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(dicyclopropylmethyl)-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 36977921
3-cyclopropyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid
CID 112735110
2-(benzylcarbamoylamino)-2-cyclohexylacetic acid
CID 61182880
2-cyclopropyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]acetic acid
CID 120521290
(2S)-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid
CID 95395819
2-cyclohexyl-2-(1H-imidazol-2-ylmethylcarbamoylamino)acetic acid
CID 64523352
2-cyclohexyl-2-(thiophen-2-ylmethylcarbamoylamino)acetic acid
CID 61195980
5-[(2-methylpyrazol-3-yl)methylcarbamoylamino]hexanoic acid
CID 82848263
2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64815607
1-cyclopentyl-2-[(2-methylpyrazol-3-yl)methylamino]ethanol
CID 115671255
1-cyclohexyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693380
2-cyclohexyl-2-[(1-methylcyclopropyl)methylcarbamoylamino]acetic acid
CID 113364251

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]acetic acid?
The IUPAC name of 2-cyclohexyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]acetic acid (CID 63303976) is 2-cyclohexyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]acetic acid?
The canonical SMILES for 2-cyclohexyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]acetic acid is Cn1nccc1CNC(=O)NC(C(=O)O)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]acetic acid?
The InChIKey is BXYYPGJIMNNARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-18-11(7-8-16-18)9-15-14(21)17-12(13(19)20)10-5-3-2-4-6-10/h7-8,10,12H,2-6,9H2,1H3,(H,19,20)(H2,15,17,21).
What are the key properties of 2-cyclohexyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]acetic acid?
2-cyclohexyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]acetic acid has a molecular weight of 294.35 g/mol, XLogP of 1.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]acetic acid is sourced from PubChem (CID 63303976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).