(2R)-4-amino-4-oxo-2-(2-pyrazol-1-ylethylcarbamoylamino)butanoic acid

C10H15N5O4 — CID 107826754

IUPAC(2R)-4-amino-4-oxo-2-(2-pyrazol-1-ylethylcarbamoylamino)butanoic acid
SMILESNC(=O)C[C@@H](NC(=O)NCCn1cccn1)C(=O)O
InChIInChI=1S/C10H15N5O4/c11-8(16)6-7(9(17)18)14-10(19)12-3-5-15-4-1-2-13-15/h1-2,4,7H,3,5-6H2,(H2,11,16)(H,17,18)(H2,12,14,19)/t7-/m1/s1
InChIKeyAILBMRYXRQYJNG-SSDOTTSWSA-N
MW269.26 g/mol
LogP-1.49
Rot. Bonds7

About (2R)-4-amino-4-oxo-2-(2-pyrazol-1-ylethylcarbamoylamino)butanoic acid

(2R)-4-amino-4-oxo-2-(2-pyrazol-1-ylethylcarbamoylamino)butanoic acid (PubChem CID 107826754) has the molecular formula C10H15N5O4 and a molecular weight of 269.26 g/mol. Its IUPAC name is (2R)-4-amino-4-oxo-2-(2-pyrazol-1-ylethylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name(2R)-4-amino-4-oxo-2-(2-pyrazol-1-ylethylcarbamoylamino)butanoic acid
PubChem CID107826754
Molecular FormulaC10H15N5O4
Molecular Weight269.26 g/mol
Exact Mass269.11
IUPAC Name(2R)-4-amino-4-oxo-2-(2-pyrazol-1-ylethylcarbamoylamino)butanoic acid
SMILESNC(=O)C[C@@H](NC(=O)NCCn1cccn1)C(=O)O
InChIInChI=1S/C10H15N5O4/c11-8(16)6-7(9(17)18)14-10(19)12-3-5-15-4-1-2-13-15/h1-2,4,7H,3,5-6H2,(H2,11,16)(H,17,18)(H2,12,14,19)/t7-/m1/s1
InChIKeyAILBMRYXRQYJNG-SSDOTTSWSA-N
XLogP-1.49
TPSA139.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-1.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-methoxy-4-oxo-2-(2-pyrazol-1-ylethylcarbamoylamino)butanoic acid
CID 63305203
5-amino-5-oxo-2-(3-pyrazol-1-ylpropylcarbamoylamino)pentanoic acid
CID 103995727
3-cyclopropyl-2-(2-pyrazol-1-ylethylcarbamoylamino)propanoic acid
CID 114188996
(2S)-4-hydroxy-2-(3-pyrazol-1-ylpropylcarbamoylamino)butanoic acid
CID 114005816
4-amino-2-(ethylcarbamoylamino)-4-oxobutanoic acid
CID 43164836
2-(2-pyrazol-1-ylethylcarbamoylamino)acetic acid
CID 61461230
4-amino-2-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 80689101
3-(2-pyrazol-1-ylethylamino)butanamide
CID 115676497
1-methyl-3-(2-pyrazol-1-ylethyl)urea
CID 23548396
(2S)-4-amino-4-oxo-2-(2-pyridin-2-ylethylcarbamoylamino)butanoic acid
CID 63714896
(2S)-4-amino-2-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-4-oxobutanoic acid
CID 63714734
1-phenyl-3-(2-pyrazol-1-ylethyl)urea
CID 110747699

Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-4-oxo-2-(2-pyrazol-1-ylethylcarbamoylamino)butanoic acid?
The IUPAC name of (2R)-4-amino-4-oxo-2-(2-pyrazol-1-ylethylcarbamoylamino)butanoic acid (CID 107826754) is (2R)-4-amino-4-oxo-2-(2-pyrazol-1-ylethylcarbamoylamino)butanoic acid.
What is the SMILES notation for (2R)-4-amino-4-oxo-2-(2-pyrazol-1-ylethylcarbamoylamino)butanoic acid?
The canonical SMILES for (2R)-4-amino-4-oxo-2-(2-pyrazol-1-ylethylcarbamoylamino)butanoic acid is NC(=O)C[C@@H](NC(=O)NCCn1cccn1)C(=O)O.
What is the InChIKey of (2R)-4-amino-4-oxo-2-(2-pyrazol-1-ylethylcarbamoylamino)butanoic acid?
The InChIKey is AILBMRYXRQYJNG-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H15N5O4/c11-8(16)6-7(9(17)18)14-10(19)12-3-5-15-4-1-2-13-15/h1-2,4,7H,3,5-6H2,(H2,11,16)(H,17,18)(H2,12,14,19)/t7-/m1/s1.
What are the key properties of (2R)-4-amino-4-oxo-2-(2-pyrazol-1-ylethylcarbamoylamino)butanoic acid?
(2R)-4-amino-4-oxo-2-(2-pyrazol-1-ylethylcarbamoylamino)butanoic acid has a molecular weight of 269.26 g/mol, XLogP of -1.49, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-4-oxo-2-(2-pyrazol-1-ylethylcarbamoylamino)butanoic acid is sourced from PubChem (CID 107826754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).