4-methyl-2-(1H-pyrazol-4-ylcarbamoylamino)pentanoic acid

C10H16N4O3 — CID 61209823

IUPAC4-methyl-2-(1H-pyrazol-4-ylcarbamoylamino)pentanoic acid
SMILESCC(C)CC(NC(=O)Nc1cn[nH]c1)C(=O)O
InChIInChI=1S/C10H16N4O3/c1-6(2)3-8(9(15)16)14-10(17)13-7-4-11-12-5-7/h4-6,8H,3H2,1-2H3,(H,11,12)(H,15,16)(H2,13,14,17)
InChIKeyATIXKUFDJPKPAN-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.03
Rot. Bonds5

About 4-methyl-2-(1H-pyrazol-4-ylcarbamoylamino)pentanoic acid

4-methyl-2-(1H-pyrazol-4-ylcarbamoylamino)pentanoic acid (PubChem CID 61209823) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 4-methyl-2-(1H-pyrazol-4-ylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-(1H-pyrazol-4-ylcarbamoylamino)pentanoic acid
PubChem CID61209823
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name4-methyl-2-(1H-pyrazol-4-ylcarbamoylamino)pentanoic acid
SMILESCC(C)CC(NC(=O)Nc1cn[nH]c1)C(=O)O
InChIInChI=1S/C10H16N4O3/c1-6(2)3-8(9(15)16)14-10(17)13-7-4-11-12-5-7/h4-6,8H,3H2,1-2H3,(H,11,12)(H,15,16)(H2,13,14,17)
InChIKeyATIXKUFDJPKPAN-UHFFFAOYSA-N
XLogP1.03
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(1H-pyrazol-4-ylcarbamoylamino)hexanedioic acid
CID 114007193
(2S)-3-methyl-2-(1H-pyrazol-4-ylcarbamoylamino)pentanoic acid
CID 61209878
2-methyl-3-(1H-pyrazol-4-ylcarbamoylamino)propanoic acid
CID 62671333
4-methyl-2-(pyridin-3-ylcarbamoylamino)pentanoic acid
CID 61187819
(2S)-2-[(5-bromo-3-pyridinyl)carbamoylamino]-4-methylpentanoic acid
CID 114222532
(2R)-2-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoylamino]-4-methylpentanoic acid
CID 78976075
(2R)-4-methyl-2-[[(2S)-4-methyl-2-(phenylcarbamoylamino)pentanoyl]amino]pentanoic acid
CID 51426594
(2S)-2-[(4-iodophenyl)carbamoylamino]-4-methylpentanoic acid
CID 61184112
(2R)-2-amino-4-methyl-N-(1H-pyrazol-4-yl)pentanamide
CID 83618000
2-[(1-ethylpyrazol-4-yl)carbamoylamino]-4-methylpentanoic acid
CID 61209725
4-methyl-2-[(3,4,5-trifluorophenyl)carbamoylamino]pentanoic acid
CID 62812910
2-[(3-acetamidophenyl)carbamoylamino]-4-methylpentanoic acid
CID 4909714

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1H-pyrazol-4-ylcarbamoylamino)pentanoic acid?
The IUPAC name of 4-methyl-2-(1H-pyrazol-4-ylcarbamoylamino)pentanoic acid (CID 61209823) is 4-methyl-2-(1H-pyrazol-4-ylcarbamoylamino)pentanoic acid.
What is the SMILES notation for 4-methyl-2-(1H-pyrazol-4-ylcarbamoylamino)pentanoic acid?
The canonical SMILES for 4-methyl-2-(1H-pyrazol-4-ylcarbamoylamino)pentanoic acid is CC(C)CC(NC(=O)Nc1cn[nH]c1)C(=O)O.
What is the InChIKey of 4-methyl-2-(1H-pyrazol-4-ylcarbamoylamino)pentanoic acid?
The InChIKey is ATIXKUFDJPKPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-6(2)3-8(9(15)16)14-10(17)13-7-4-11-12-5-7/h4-6,8H,3H2,1-2H3,(H,11,12)(H,15,16)(H2,13,14,17).
What are the key properties of 4-methyl-2-(1H-pyrazol-4-ylcarbamoylamino)pentanoic acid?
4-methyl-2-(1H-pyrazol-4-ylcarbamoylamino)pentanoic acid has a molecular weight of 240.26 g/mol, XLogP of 1.03, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1H-pyrazol-4-ylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 61209823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).